N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide

C26H26N4O3 — CID 172657218

IUPACN-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N(C)Cc2nccn2Cc2ccccc2)c1=O
InChIInChI=1S/C26H26N4O3/c1-19-13-15-30(21-11-7-8-12-22(21)33-3)26(32)24(19)25(31)28(2)18-23-27-14-16-29(23)17-20-9-5-4-6-10-20/h4-16H,17-18H2,1-3H3
InChIKeyPUGJCPQPZBNDCY-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.67
Rot. Bonds7

About N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 172657218) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID172657218
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccccc1-n1ccc(C)c(C(=O)N(C)Cc2nccn2Cc2ccccc2)c1=O
InChIInChI=1S/C26H26N4O3/c1-19-13-15-30(21-11-7-8-12-22(21)33-3)26(32)24(19)25(31)28(2)18-23-27-14-16-29(23)17-20-9-5-4-6-10-20/h4-16H,17-18H2,1-3H3
InChIKeyPUGJCPQPZBNDCY-UHFFFAOYSA-N
XLogP3.67
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
1-(2-methoxyphenyl)-N,4-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyridine-3-carboxamide
CID 172661925
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-[(3-chloro-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666735
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 134039597
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide (CID 172657218) is N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide is COc1ccccc1-n1ccc(C)c(C(=O)N(C)Cc2nccn2Cc2ccccc2)c1=O.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is PUGJCPQPZBNDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-19-13-15-30(21-11-7-8-12-22(21)33-3)26(32)24(19)25(31)28(2)18-23-27-14-16-29(23)17-20-9-5-4-6-10-20/h4-16H,17-18H2,1-3H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172657218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).