1-methyl-N-[(4-methylphenyl)methyl]-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide

Systemtic Name: 1-methyl-N-[(4-methylphenyl)methyl]-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Openeye Name: 1-methyl-5-(propylcarbamoylamino)-N-(p-tolylmethyl)pyrrolo[2,3-b]pyridine-3-carboxamide CAS Name: 1-methyl-N-[(4-methylphenyl)methyl]-5-[[oxo(propylamino)methyl]amino]-3-pyrrolo[2,3-b]pyridinecarboxamide IUPAC Name: 1-methyl-N-[(4-methylphenyl)methyl]-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Traditional Name: 1-methyl-N-(4-methylbenzyl)-5-(propylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=CN=C2C(=C1)C(=CN2C)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCNC(=O)NC1=CN=C2C(=C1)C(=CN2C)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N5O2/c1-4-9-22-21(28)25-16-10-17-18(13-26(3)19(17)23-12-16)20(27)24-11-15-7-5-14(2)6-8-15/h5-8,10,12-13H,4,9,11H2,1-3H3,(H,24,27)(H2,22,25,28)