2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

C15H14F2N2O — CID 105380304

IUPAC2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C15H14F2N2O/c1-10-3-5-11(6-4-10)9-19(2)15(20)12-7-8-18-14(17)13(12)16/h3-8H,9H2,1-2H3
InChIKeyZPPJTBJHXFIJTA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.94
Rot. Bonds3

About 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 105380304) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID105380304
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(F)c2F)cc1
InChIInChI=1S/C15H14F2N2O/c1-10-3-5-11(6-4-10)9-19(2)15(20)12-7-8-18-14(17)13(12)16/h3-8H,9H2,1-2H3
InChIKeyZPPJTBJHXFIJTA-UHFFFAOYSA-N
XLogP2.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 105380305
2,3-difluoro-N-methyl-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 105381264
N-[2-(dimethylamino)-2-oxoethyl]-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105380365
N-benzyl-2-chloro-3-fluoro-N-methylpyridine-4-carboxamide
CID 110851104
2-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 105385956
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]furan-3-carboxamide
CID 106685341
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
methyl 3-[(2,3-difluoropyridine-4-carbonyl)-methylamino]propanoate
CID 105381063
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381112

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 105380304) is 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2ccnc(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is ZPPJTBJHXFIJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-10-3-5-11(6-4-10)9-19(2)15(20)12-7-8-18-14(17)13(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105380304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).