N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide

C27H24N2O4 — CID 66497970

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)[nH]c2=O)cc1OC
InChIInChI=1S/C27H24N2O4/c1-32-24-15-8-18(16-25(24)33-2)17-28-26(30)22-13-14-23(29-27(22)31)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyDFWMOOMWRBULKC-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.66
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 66497970) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
PubChem CID66497970
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)[nH]c2=O)cc1OC
InChIInChI=1S/C27H24N2O4/c1-32-24-15-8-18(16-25(24)33-2)17-28-26(30)22-13-14-23(29-27(22)31)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyDFWMOOMWRBULKC-UHFFFAOYSA-N
XLogP4.66
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
N-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 60508987
N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 25096901
N-(2-methoxyphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498056
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
N-(5-chloro-2-methoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497852
N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanylbenzamide
CID 92532211
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110648795
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55758693
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66502679

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide (CID 66497970) is N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)[nH]c2=O)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is DFWMOOMWRBULKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-32-24-15-8-18(16-25(24)33-2)17-28-26(30)22-13-14-23(29-27(22)31)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).