2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide

C12H13ClN4O — CID 154880576

IUPAC2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cccnc1Cl
InChIInChI=1S/C12H13ClN4O/c1-2-17-7-6-14-10(17)8-16-12(18)9-4-3-5-15-11(9)13/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyXQWCYQPKRNOMAN-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.88
Rot. Bonds4

About 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide

2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 154880576) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID154880576
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCn1ccnc1CNC(=O)c1cccnc1Cl
InChIInChI=1S/C12H13ClN4O/c1-2-17-7-6-14-10(17)8-16-12(18)9-4-3-5-15-11(9)13/h3-7H,2,8H2,1H3,(H,16,18)
InChIKeyXQWCYQPKRNOMAN-UHFFFAOYSA-N
XLogP1.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-2-fluoropyridine-3-carboxamide
CID 154879514
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 50971928

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 154880576) is 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide is CCn1ccnc1CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is XQWCYQPKRNOMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-17-7-6-14-10(17)8-16-12(18)9-4-3-5-15-11(9)13/h3-7H,2,8H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide?
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 154880576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).