N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide

C16H13ClN4O — CID 1473674

IUPACN-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H13ClN4O/c1-11-13(17)3-2-4-14(11)20-16(22)12-5-6-15(19-9-12)21-8-7-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyPTFHFIOEEJJJLG-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.48
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide

N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 1473674) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID1473674
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H13ClN4O/c1-11-13(17)3-2-4-14(11)20-16(22)12-5-6-15(19-9-12)21-8-7-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyPTFHFIOEEJJJLG-UHFFFAOYSA-N
XLogP3.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide (CID 1473674) is N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is PTFHFIOEEJJJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-11-13(17)3-2-4-14(11)20-16(22)12-5-6-15(19-9-12)21-8-7-18-10-21/h2-10H,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 1473674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).