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

C16H14N4O3 — CID 44579685

IUPAC2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
SMILESCc1nc2c(C(=O)NCC(=O)O)nccc2n1-c1ccccc1
InChIInChI=1S/C16H14N4O3/c1-10-19-14-12(20(10)11-5-3-2-4-6-11)7-8-17-15(14)16(23)18-9-13(21)22/h2-8H,9H2,1H3,(H,18,23)(H,21,22)
InChIKeyKKQBOTWYAPMCCL-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.54
Rot. Bonds4

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

2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid (PubChem CID 44579685) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
PubChem CID44579685
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid
SMILESCc1nc2c(C(=O)NCC(=O)O)nccc2n1-c1ccccc1
InChIInChI=1S/C16H14N4O3/c1-10-19-14-12(20(10)11-5-3-2-4-6-11)7-8-17-15(14)16(23)18-9-13(21)22/h2-8H,9H2,1H3,(H,18,23)(H,21,22)
InChIKeyKKQBOTWYAPMCCL-UHFFFAOYSA-N
XLogP1.54
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid (CID 44579685) is 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid is Cc1nc2c(C(=O)NCC(=O)O)nccc2n1-c1ccccc1.
What is the InChIKey of 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
The InChIKey is KKQBOTWYAPMCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-19-14-12(20(10)11-5-3-2-4-6-11)7-8-17-15(14)16(23)18-9-13(21)22/h2-8H,9H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid?
2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid has a molecular weight of 310.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-phenylimidazo[4,5-c]pyridine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 44579685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).