N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide

C19H20N4O2 — CID 50972163

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C19H20N4O2/c1-21-13-16(8-9-18(21)24)19(25)22(2)14-17-20-10-11-23(17)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3
InChIKeyIMSIXNXAUVNBPL-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.90
Rot. Bonds5

About N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 50972163) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID50972163
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
SMILESCN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C19H20N4O2/c1-21-13-16(8-9-18(21)24)19(25)22(2)14-17-20-10-11-23(17)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3
InChIKeyIMSIXNXAUVNBPL-UHFFFAOYSA-N
XLogP1.90
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
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N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
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N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
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N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
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(2S)-N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethylazepane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide (CID 50972163) is N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide is CN(Cc1nccn1Cc1ccccc1)C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is IMSIXNXAUVNBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-21-13-16(8-9-18(21)24)19(25)22(2)14-17-20-10-11-23(17)12-15-6-4-3-5-7-15/h3-11,13H,12,14H2,1-2H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 50972163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).