1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide

C20H22N4O2 — CID 134316142

IUPAC1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)c(-c2cc(C)c(=O)n(C)c2)n1
InChIInChI=1S/C20H22N4O2/c1-4-21-19(25)17-13-24(11-15-8-6-5-7-9-15)18(22-17)16-10-14(2)20(26)23(3)12-16/h5-10,12-13H,4,11H2,1-3H3,(H,21,25)
InChIKeyPEWJVIUBJRLVGF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.36
Rot. Bonds5

About 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide

1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide (PubChem CID 134316142) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide
PubChem CID134316142
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide
SMILESCCNC(=O)c1cn(Cc2ccccc2)c(-c2cc(C)c(=O)n(C)c2)n1
InChIInChI=1S/C20H22N4O2/c1-4-21-19(25)17-13-24(11-15-8-6-5-7-9-15)18(22-17)16-10-14(2)20(26)23(3)12-16/h5-10,12-13H,4,11H2,1-3H3,(H,21,25)
InChIKeyPEWJVIUBJRLVGF-UHFFFAOYSA-N
XLogP2.36
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide?
The IUPAC name of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide (CID 134316142) is 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide?
The canonical SMILES for 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide is CCNC(=O)c1cn(Cc2ccccc2)c(-c2cc(C)c(=O)n(C)c2)n1.
What is the InChIKey of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide?
The InChIKey is PEWJVIUBJRLVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-21-19(25)17-13-24(11-15-8-6-5-7-9-15)18(22-17)16-10-14(2)20(26)23(3)12-16/h5-10,12-13H,4,11H2,1-3H3,(H,21,25).
What are the key properties of 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide?
1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazole-4-carboxamide is sourced from PubChem (CID 134316142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).