3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

C12H13ClN4O — CID 66463625

IUPAC3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccncc1Cl
InChIInChI=1S/C12H13ClN4O/c13-11-8-14-4-2-10(11)12(18)16-3-1-6-17-7-5-15-9-17/h2,4-5,7-9H,1,3,6H2,(H,16,18)
InChIKeyQTMZMRUBLYZQGM-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.75
Rot. Bonds5

About 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide

3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (PubChem CID 66463625) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
PubChem CID66463625
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccncc1Cl
InChIInChI=1S/C12H13ClN4O/c13-11-8-14-4-2-10(11)12(18)16-3-1-6-17-7-5-15-9-17/h2,4-5,7-9H,1,3,6H2,(H,16,18)
InChIKeyQTMZMRUBLYZQGM-UHFFFAOYSA-N
XLogP1.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
2-amino-3-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 82546842
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
2-chloro-N-(4-imidazol-1-ylbutyl)furan-3-carboxamide
CID 106686683
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706
2-chloro-N-(3-imidazol-1-ylpropyl)-5-[[(2S)-3-methylbutan-2-yl]amino]benzamide
CID 95981751
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide (CID 66463625) is 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is O=C(NCCCn1ccnc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
The InChIKey is QTMZMRUBLYZQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-11-8-14-4-2-10(11)12(18)16-3-1-6-17-7-5-15-9-17/h2,4-5,7-9H,1,3,6H2,(H,16,18).
What are the key properties of 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide?
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 66463625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).