N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide

C16H14N4O — CID 53159079

IUPACN-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1cccnc1
InChIInChI=1S/C16H14N4O/c21-16(14-2-1-7-17-11-14)19-10-13-3-5-15(6-4-13)20-9-8-18-12-20/h1-9,11-12H,10H2,(H,19,21)
InChIKeyJIDKKSZDLSWQHS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide

N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 53159079) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID53159079
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1cccnc1
InChIInChI=1S/C16H14N4O/c21-16(14-2-1-7-17-11-14)19-10-13-3-5-15(6-4-13)20-9-8-18-12-20/h1-9,11-12H,10H2,(H,19,21)
InChIKeyJIDKKSZDLSWQHS-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 30378303
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide (CID 53159079) is N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1cccnc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is JIDKKSZDLSWQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(14-2-1-7-17-11-14)19-10-13-3-5-15(6-4-13)20-9-8-18-12-20/h1-9,11-12H,10H2,(H,19,21).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53159079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).