6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide

C11H11ClN4O — CID 47142380

IUPAC6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN4O/c12-10-2-1-9(7-15-10)11(17)14-4-6-16-5-3-13-8-16/h1-3,5,7-8H,4,6H2,(H,14,17)
InChIKeyGQVPFZUNOHQKOV-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.36
Rot. Bonds4

About 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide

6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide (PubChem CID 47142380) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
PubChem CID47142380
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN4O/c12-10-2-1-9(7-15-10)11(17)14-4-6-16-5-3-13-8-16/h1-3,5,7-8H,4,6H2,(H,14,17)
InChIKeyGQVPFZUNOHQKOV-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981
3,5-dibromo-N-(2-imidazol-1-ylethyl)benzamide
CID 103907789
5-chloro-N-(2-imidazol-1-ylethyl)thiophene-2-carboxamide
CID 47143117
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
4-bromo-N-(2-imidazol-1-ylethyl)-3-methylbenzamide
CID 112705775
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybenzamide
CID 104782700
N-(2-imidazol-1-ylethyl)-3-methyl-4-(methylamino)benzamide
CID 63213649
5-carbamothioyl-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 63724768
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 47073596
3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide (CID 47142380) is 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide is O=C(NCCn1ccnc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is GQVPFZUNOHQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-10-2-1-9(7-15-10)11(17)14-4-6-16-5-3-13-8-16/h1-3,5,7-8H,4,6H2,(H,14,17).
What are the key properties of 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide?
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 47142380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).