N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide

C21H20N2O4 — CID 25096901

IUPACN-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C21H20N2O4/c1-26-18-11-8-15(12-19(18)27-2)17-10-9-16(21(25)23-17)20(24)22-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJBTWYGSFIBDDSC-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.99
Rot. Bonds6

About N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 25096901) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID25096901
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)NCc3ccccc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C21H20N2O4/c1-26-18-11-8-15(12-19(18)27-2)17-10-9-16(21(25)23-17)20(24)22-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJBTWYGSFIBDDSC-UHFFFAOYSA-N
XLogP2.99
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497970
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-2-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)benzamide
CID 51039429
2-[[6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
CID 13180457
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
N-(2-methoxyphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498056
N-benzyl-4-bromo-2-methoxybenzamide
CID 22346886
N-[2-(4-methoxyphenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497361
N-benzyl-3-(4-bromophenyl)-6-(3,4-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 46364893
N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497426

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 25096901) is N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide is COc1ccc(-c2ccc(C(=O)NCc3ccccc3)c(=O)[nH]2)cc1OC.
What is the InChIKey of N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JBTWYGSFIBDDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-18-11-8-15(12-19(18)27-2)17-10-9-16(21(25)23-17)20(24)22-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3,4-dimethoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25096901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).