6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid

C12H12N4O3 — CID 63643768

IUPAC6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H12N4O3/c17-11(4-6-16-7-5-13-8-16)15-10-3-1-2-9(14-10)12(18)19/h1-3,5,7-8H,4,6H2,(H,18,19)(H,14,15,17)
InChIKeyBBMYGAMKNDBERT-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.01
Rot. Bonds5

About 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid

6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid (PubChem CID 63643768) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
PubChem CID63643768
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C12H12N4O3/c17-11(4-6-16-7-5-13-8-16)15-10-3-1-2-9(14-10)12(18)19/h1-3,5,7-8H,4,6H2,(H,18,19)(H,14,15,17)
InChIKeyBBMYGAMKNDBERT-UHFFFAOYSA-N
XLogP1.01
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
CID 28739593
N-(2,3-dimethylphenyl)-3-imidazol-1-ylpropanamide
CID 46339273
N-(4-chloro-2-pyridinyl)-3-imidazol-1-ylpropanamide
CID 115627274
3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
CID 65098547
3-[3-(3-imidazol-1-ylpropanoylamino)phenyl]prop-2-enoic acid
CID 76907421
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
2-[(3-imidazol-1-ylpropanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381418
N-(3-amino-4-chlorophenyl)-3-imidazol-1-ylpropanamide
CID 16791927
6-(ethylamino)-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 62234153
3-imidazol-1-yl-N-(4-sulfamoylphenyl)propanamide
CID 60647736
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
CID 112688400

Frequently Asked Questions

What is the IUPAC name of 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid (CID 63643768) is 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid is O=C(CCn1ccnc1)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid?
The InChIKey is BBMYGAMKNDBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c17-11(4-6-16-7-5-13-8-16)15-10-3-1-2-9(14-10)12(18)19/h1-3,5,7-8H,4,6H2,(H,18,19)(H,14,15,17).
What are the key properties of 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid?
6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 63643768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).