6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

C16H14N4O3 — CID 138664132

IUPAC6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(C(=O)NC2CCc3nc(C(=O)O)cn3C2)cc1
InChIInChI=1S/C16H14N4O3/c17-7-10-1-3-11(4-2-10)15(21)18-12-5-6-14-19-13(16(22)23)9-20(14)8-12/h1-4,9,12H,5-6,8H2,(H,18,21)(H,22,23)
InChIKeyVYCJGYLPKLDWPX-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.20
Rot. Bonds3

About 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 138664132) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID138664132
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(C(=O)NC2CCc3nc(C(=O)O)cn3C2)cc1
InChIInChI=1S/C16H14N4O3/c17-7-10-1-3-11(4-2-10)15(21)18-12-5-6-14-19-13(16(22)23)9-20(14)8-12/h1-4,9,12H,5-6,8H2,(H,18,21)(H,22,23)
InChIKeyVYCJGYLPKLDWPX-UHFFFAOYSA-N
XLogP1.20
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-cyanobenzoyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138664131
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
4-cyano-N-(4-pyrazol-1-ylcyclohexyl)benzamide
CID 126851731
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-[1-(4-cyanophenyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 172933795
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95766080
N-[(3S)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-cyanobenzamide
CID 99741498
4-cyano-N-(3,5-dimethylcyclohexyl)benzamide
CID 64724364
4-cyano-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7123831
4-cyano-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7123830

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 138664132) is 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is N#Cc1ccc(C(=O)NC2CCc3nc(C(=O)O)cn3C2)cc1.
What is the InChIKey of 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is VYCJGYLPKLDWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-7-10-1-3-11(4-2-10)15(21)18-12-5-6-14-19-13(16(22)23)9-20(14)8-12/h1-4,9,12H,5-6,8H2,(H,18,21)(H,22,23).
What are the key properties of 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanobenzoyl)amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 138664132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).