2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid

C13H14N4O3 — CID 19155028

IUPAC2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H14N4O3/c18-12(11-10(13(19)20)3-1-4-15-11)16-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,16,18)(H,19,20)
InChIKeySCTSAIPLENMTDK-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.80
Rot. Bonds6

About 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid

2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 19155028) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID19155028
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C13H14N4O3/c18-12(11-10(13(19)20)3-1-4-15-11)16-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,16,18)(H,19,20)
InChIKeySCTSAIPLENMTDK-UHFFFAOYSA-N
XLogP0.80
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 55134426
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
3-(3-hydroxyprop-1-ynyl)-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 107521201
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
3-(2-imidazol-1-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743387

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid (CID 19155028) is 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is SCTSAIPLENMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12(11-10(13(19)20)3-1-4-15-11)16-5-2-7-17-8-6-14-9-17/h1,3-4,6,8-9H,2,5,7H2,(H,16,18)(H,19,20).
What are the key properties of 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid?
2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19155028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).