2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid

C15H12N4O3 — CID 44579682

IUPAC2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2c1ncn2-c1ccccc1
InChIInChI=1S/C15H12N4O3/c20-12(21)8-17-15(22)14-13-11(6-7-16-14)19(9-18-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,22)(H,20,21)
InChIKeyHCXCYWQJJPLWSH-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.23
Rot. Bonds4

About 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid

2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid (PubChem CID 44579682) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
PubChem CID44579682
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2c1ncn2-c1ccccc1
InChIInChI=1S/C15H12N4O3/c20-12(21)8-17-15(22)14-13-11(6-7-16-14)19(9-18-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,22)(H,20,21)
InChIKeyHCXCYWQJJPLWSH-UHFFFAOYSA-N
XLogP1.23
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-Aminopurin-9-yl)ethyl]-3-phenylpyrido[3,2-d]pyrimidin-4-one
CID 58119648
DprE1-IN-2
CID 90467014
N-(1-methyl-6-oxo-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617700
N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617703
N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617751
N-(6-oxo-1H-pyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617760
N-pyridin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617764
1-amino-N-(2-methoxyethyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168274940
1-amino-N-(2-hydroxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168280617
1-amino-N-(3-hydroxypropyl)pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 168282640
2-(1,6-diphenyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 25105471
2-(1-methyl-1H-imidazo[4,5-c]pyridine-4-carboxamido)acetic acid
CID 44579681

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid (CID 44579682) is 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nccc2c1ncn2-c1ccccc1.
What is the InChIKey of 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The InChIKey is HCXCYWQJJPLWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-12(21)8-17-15(22)14-13-11(6-7-16-14)19(9-18-13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,22)(H,20,21).
What are the key properties of 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 44579682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).