1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide

C21H18F2N2O2 — CID 2764872

IUPAC1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1C
InChIInChI=1S/C21H18F2N2O2/c1-13-3-6-17(9-14(13)2)24-21(27)16-5-8-20(26)25(12-16)11-15-4-7-18(22)19(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyDWCJZANFCLSBIT-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.04
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide

1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide (PubChem CID 2764872) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide
PubChem CID2764872
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1C
InChIInChI=1S/C21H18F2N2O2/c1-13-3-6-17(9-14(13)2)24-21(27)16-5-8-20(26)25(12-16)11-15-4-7-18(22)19(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyDWCJZANFCLSBIT-UHFFFAOYSA-N
XLogP4.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide (CID 2764872) is 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)cc1C.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is DWCJZANFCLSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-13-3-6-17(9-14(13)2)24-21(27)16-5-8-20(26)25(12-16)11-15-4-7-18(22)19(23)10-15/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide?
1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 368.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-(3,4-dimethylphenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 2764872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).