6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-3-carboxylic acid

Systemtic Name: 6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazin-1-yl]carbonylpyridine-3-carboxylic acid Openeye Name: 6-[4-[3-(isobutylamino)-2-pyridyl]piperazine-1-carbonyl]pyridine-3-carboxylic acid CAS Name: 6-[[4-[3-(2-methylpropylamino)-2-pyridinyl]-1-piperazinyl]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-[3-(2-methylpropylamino)pyridin-2-yl]piperazine-1-carbonyl]pyridine-3-carboxylic acid Traditional Name: 6-[4-[3-(isobutylamino)-2-pyridyl]piperazine-1-carbonyl]nicotinic acid Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)CNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H25N5O3/c1-14(2)12-22-16-4-3-7-21-18(16)24-8-10-25(11-9-24)19(26)17-6-5-15(13-23-17)20(27)28/h3-7,13-14,22H,8-12H2,1-2H3,(H,27,28)