N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide

C18H18N4O3 — CID 136545418

IUPACN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3cc(C)cc(=O)[nH]3)n2C)cc1
InChIInChI=1S/C18H18N4O3/c1-11-8-14(20-16(23)9-11)17(24)21-18-19-10-15(22(18)2)12-4-6-13(25-3)7-5-12/h4-10H,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyBVBOFZTVWRYJJM-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.34
Rot. Bonds4

About N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide

N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 136545418) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID136545418
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3cc(C)cc(=O)[nH]3)n2C)cc1
InChIInChI=1S/C18H18N4O3/c1-11-8-14(20-16(23)9-11)17(24)21-18-19-10-15(22(18)2)12-4-6-13(25-3)7-5-12/h4-10H,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyBVBOFZTVWRYJJM-UHFFFAOYSA-N
XLogP2.34
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
N-(3,5-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569187
1-(2,4-dimethoxyphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577919
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951661
(5R)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51688209
N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
CID 3917768
N-[2-(4-methoxyphenyl)-5-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylbenzamide
CID 135520756
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-3-nitrobenzamide
CID 3561615
5-(4-methoxyphenyl)-1-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 138040977
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride
CID 163328701
1-(2,3-dimethylphenyl)-3-[1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-yl]urea
CID 22577946
1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577917

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 136545418) is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide is COc1ccc(-c2cnc(NC(=O)c3cc(C)cc(=O)[nH]3)n2C)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is BVBOFZTVWRYJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-8-14(20-16(23)9-11)17(24)21-18-19-10-15(22(18)2)12-4-6-13(25-3)7-5-12/h4-10H,1-3H3,(H,20,23)(H,19,21,24).
What are the key properties of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide?
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 136545418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).