N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C16H14N4O2 — CID 56820271

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H14N4O2/c21-15-6-3-13(10-18-15)16(22)19-9-12-1-4-14(5-2-12)20-8-7-17-11-20/h1-8,10-11H,9H2,(H,18,21)(H,19,22)
InChIKeyYISNXIOVVOZACG-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.49
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56820271) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56820271
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H14N4O2/c21-15-6-3-13(10-18-15)16(22)19-9-12-1-4-14(5-2-12)20-8-7-17-11-20/h1-8,10-11H,9H2,(H,18,21)(H,19,22)
InChIKeyYISNXIOVVOZACG-UHFFFAOYSA-N
XLogP1.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
4-[[2-[(4-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 166218360

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 56820271) is N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YISNXIOVVOZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15-6-3-13(10-18-15)16(22)19-9-12-1-4-14(5-2-12)20-8-7-17-11-20/h1-8,10-11H,9H2,(H,18,21)(H,19,22).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56820271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).