N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C22H22N2O4 — CID 8697069

IUPACN-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O4/c1-15-4-6-16(7-5-15)13-24-14-17(8-11-21(24)25)22(26)23-19-12-18(27-2)9-10-20(19)28-3/h4-12,14H,13H2,1-3H3,(H,23,26)
InChIKeyNUQDORBXTYDYNA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.47
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 8697069) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID8697069
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c1
InChIInChI=1S/C22H22N2O4/c1-15-4-6-16(7-5-15)13-24-14-17(8-11-21(24)25)22(26)23-19-12-18(27-2)9-10-20(19)28-3/h4-12,14H,13H2,1-3H3,(H,23,26)
InChIKeyNUQDORBXTYDYNA-UHFFFAOYSA-N
XLogP3.47
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382687
N-(2-methoxy-5-methylphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697109
N-(2,5-dimethoxyphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671505
N-(2,4-dimethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382358
1-[(3-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-6-oxopyridine-3-carboxamide
CID 26844110
N-(4-methoxy-2-nitrophenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382372
1-[(3-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-6-oxopyridine-3-carboxamide
CID 8671106
1-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)-6-oxopyridine-3-carboxamide
CID 110382997
1-[(4-fluorophenyl)methyl]-N-(4-methoxy-2-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 110382384
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(3,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110382704
1-[(4-methylphenyl)methyl]-6-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 8697162

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 8697069) is N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is NUQDORBXTYDYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-4-6-16(7-5-15)13-24-14-17(8-11-21(24)25)22(26)23-19-12-18(27-2)9-10-20(19)28-3/h4-12,14H,13H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 8697069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).