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

C16H14N4O3 — CID 44579683

IUPAC2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2c1ncn2Cc1ccccc1
InChIInChI=1S/C16H14N4O3/c21-13(22)8-18-16(23)15-14-12(6-7-17-15)20(10-19-14)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,23)(H,21,22)
InChIKeyHELPXFNVKCWGHN-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.29
Rot. Bonds5

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

2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid (PubChem CID 44579683) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
PubChem CID44579683
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1nccc2c1ncn2Cc1ccccc1
InChIInChI=1S/C16H14N4O3/c21-13(22)8-18-16(23)15-14-12(6-7-17-15)20(10-19-14)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,23)(H,21,22)
InChIKeyHELPXFNVKCWGHN-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid (CID 44579683) is 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1nccc2c1ncn2Cc1ccccc1.
What is the InChIKey of 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The InChIKey is HELPXFNVKCWGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-13(22)8-18-16(23)15-14-12(6-7-17-15)20(10-19-14)9-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,23)(H,21,22).
What are the key properties of 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 44579683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).