N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C17H16N4O2 — CID 18112960

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc[nH]c1=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O2/c1-12(20-17(23)15-3-2-8-19-16(15)22)13-4-6-14(7-5-13)21-10-9-18-11-21/h2-12H,1H3,(H,19,22)(H,20,23)
InChIKeyNBGHOQOSASOXHN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.05
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 18112960) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID18112960
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc[nH]c1=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16N4O2/c1-12(20-17(23)15-3-2-8-19-16(15)22)13-4-6-14(7-5-13)21-10-9-18-11-21/h2-12H,1H3,(H,19,22)(H,20,23)
InChIKeyNBGHOQOSASOXHN-UHFFFAOYSA-N
XLogP2.05
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25443183
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 9119802
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
N-[1-(4-imidazol-1-ylphenyl)ethyl]thiophene-2-carboxamide
CID 4787429
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-iodobenzamide
CID 43003596
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
CID 43003578
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 18112960) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc[nH]c1=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NBGHOQOSASOXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12(20-17(23)15-3-2-8-19-16(15)22)13-4-6-14(7-5-13)21-10-9-18-11-21/h2-12H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 18112960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).