N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

C22H26N4O2 — CID 172672908

IUPACN-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1c(C)ccn(CCc2ccccc2)c1=O
InChIInChI=1S/C22H26N4O2/c1-3-19(15-25-14-11-23-16-25)24-21(27)20-17(2)9-12-26(22(20)28)13-10-18-7-5-4-6-8-18/h4-9,11-12,14,16,19H,3,10,13,15H2,1-2H3,(H,24,27)
InChIKeyYAMSANPKHBXATJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.80
Rot. Bonds8

About N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 172672908) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID172672908
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1c(C)ccn(CCc2ccccc2)c1=O
InChIInChI=1S/C22H26N4O2/c1-3-19(15-25-14-11-23-16-25)24-21(27)20-17(2)9-12-26(22(20)28)13-10-18-7-5-4-6-8-18/h4-9,11-12,14,16,19H,3,10,13,15H2,1-2H3,(H,24,27)
InChIKeyYAMSANPKHBXATJ-UHFFFAOYSA-N
XLogP2.80
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157
4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665741
2-fluoro-N-(1-imidazol-1-ylbutan-2-yl)-6-methoxybenzamide
CID 91778772
N-(1-imidazol-1-ylbutan-2-yl)-1-methylindole-3-carboxamide
CID 56744427
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 95556331
N-(1-imidazol-1-ylbutan-2-yl)-5-methyl-2H-triazole-4-carboxamide
CID 131918177
N-(4-acetamido-2-methylphenyl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172661780
N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 56707272
1-(5-fluoro-2-methylphenyl)-3-(1-imidazol-1-ylbutan-2-yl)urea
CID 118790076
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172672238
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172670938

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide (CID 172672908) is N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is CCC(Cn1ccnc1)NC(=O)c1c(C)ccn(CCc2ccccc2)c1=O.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is YAMSANPKHBXATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-19(15-25-14-11-23-16-25)24-21(27)20-17(2)9-12-26(22(20)28)13-10-18-7-5-4-6-8-18/h4-9,11-12,14,16,19H,3,10,13,15H2,1-2H3,(H,24,27).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172672908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).