N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide

C20H17F2N3O — CID 109176615

IUPACN-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)c(C)c1
InChIInChI=1S/C20H17F2N3O/c1-12-3-6-18(13(2)9-12)25-19-10-14(7-8-23-19)20(26)24-15-4-5-16(21)17(22)11-15/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyKNRACEQWZCPEQS-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.97
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide

N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide (PubChem CID 109176615) has the molecular formula C20H17F2N3O and a molecular weight of 353.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
PubChem CID109176615
Molecular FormulaC20H17F2N3O
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC NameN-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)c(C)c1
InChIInChI=1S/C20H17F2N3O/c1-12-3-6-18(13(2)9-12)25-19-10-14(7-8-23-19)20(26)24-15-4-5-16(21)17(22)11-15/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyKNRACEQWZCPEQS-UHFFFAOYSA-N
XLogP4.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356791
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176614
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266524
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109176595
ethyl 2-[[4-[(3,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109179002
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176722
N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449984
2-(4-acetamidoanilino)-N-(4-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 109177651
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide (CID 109176615) is N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)Nc3ccc(F)c(F)c3)ccn2)c(C)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide?
The InChIKey is KNRACEQWZCPEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O/c1-12-3-6-18(13(2)9-12)25-19-10-14(7-8-23-19)20(26)24-15-4-5-16(21)17(22)11-15/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109176615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).