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

C21H18F2N2O4 — CID 7599382

IUPACN-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Cn2cccc(C(=O)Nc3ccc(F)cc3F)c2=O)cc(OC)c1
InChIInChI=1S/C21H18F2N2O4/c1-28-15-8-13(9-16(11-15)29-2)12-25-7-3-4-17(21(25)27)20(26)24-19-6-5-14(22)10-18(19)23/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyXUNWRFNSWUPFDH-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.44
Rot. Bonds6

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

N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599382) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599382
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC NameN-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCOc1cc(Cn2cccc(C(=O)Nc3ccc(F)cc3F)c2=O)cc(OC)c1
InChIInChI=1S/C21H18F2N2O4/c1-28-15-8-13(9-16(11-15)29-2)12-25-7-3-4-17(21(25)27)20(26)24-19-6-5-14(22)10-18(19)23/h3-11H,12H2,1-2H3,(H,24,26)
InChIKeyXUNWRFNSWUPFDH-UHFFFAOYSA-N
XLogP3.44
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382898
N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599441
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599387
N-(2-cyanophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599376
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
1-[(2-chlorophenyl)methyl]-N-(2,4-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7598500
N-(2,4-dimethoxyphenyl)-1-[(4-ethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382645
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
1-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598073
N-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382606
1-[(4-fluorophenyl)methyl]-N'-(3-methoxybenzoyl)-2-oxopyridine-3-carbohydrazide
CID 30837004
1-[(4-fluorophenyl)methyl]-N'-[2-(3-methoxyphenoxy)acetyl]-2-oxopyridine-3-carbohydrazide
CID 30836963

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599382) is N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is COc1cc(Cn2cccc(C(=O)Nc3ccc(F)cc3F)c2=O)cc(OC)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is XUNWRFNSWUPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c1-28-15-8-13(9-16(11-15)29-2)12-25-7-3-4-17(21(25)27)20(26)24-19-6-5-14(22)10-18(19)23/h3-11H,12H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).