N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide

C15H14F2N2O — CID 105381112

IUPACN-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ccnc(F)c2F)c(C)c1
InChIInChI=1S/C15H14F2N2O/c1-9-4-5-12(10(2)8-9)19(3)15(20)11-6-7-18-14(17)13(11)16/h4-8H,1-3H3
InChIKeyKONAJUPVUDEJIL-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.25
Rot. Bonds2

About N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide

N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide (PubChem CID 105381112) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
PubChem CID105381112
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2ccnc(F)c2F)c(C)c1
InChIInChI=1S/C15H14F2N2O/c1-9-4-5-12(10(2)8-9)19(3)15(20)11-6-7-18-14(17)13(11)16/h4-8H,1-3H3
InChIKeyKONAJUPVUDEJIL-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.25
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

N-(2,4-dimethylphenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103888049
2-amino-N-(2,4-dimethylphenyl)-N-methylpyridine-4-carboxamide
CID 62161286
2,3-difluoro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 105380304
2-[(2,4-dimethylphenyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614620
N-(2,4-dimethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174274
N-(2,4-dimethylphenyl)-2-iodo-N-methylbenzamide
CID 47313258
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601
4-cyano-N-(2,4-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 115115659
N-(2,4-dimethylphenyl)-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81237748
3-amino-N-(2,4-dimethylphenyl)-N,4-dimethylbenzamide
CID 62003677
2-bromo-N-(2,4-dimethylphenyl)-N-methyl-5-sulfanylbenzamide
CID 107027687
3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide (CID 105381112) is N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide is Cc1ccc(N(C)C(=O)c2ccnc(F)c2F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
The InChIKey is KONAJUPVUDEJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-9-4-5-12(10(2)8-9)19(3)15(20)11-6-7-18-14(17)13(11)16/h4-8H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide?
N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,3-difluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105381112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).