N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide

C18H11ClF3N3O — CID 109177743

IUPACN-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H11ClF3N3O/c19-13-9-12(2-3-14(13)21)24-18(26)10-5-6-23-17(7-10)25-16-4-1-11(20)8-15(16)22/h1-9H,(H,23,25)(H,24,26)
InChIKeyWHRWNWPWKIXQKK-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.15
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide (PubChem CID 109177743) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
PubChem CID109177743
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H11ClF3N3O/c19-13-9-12(2-3-14(13)21)24-18(26)10-5-6-23-17(7-10)25-16-4-1-11(20)8-15(16)22/h1-9H,(H,23,25)(H,24,26)
InChIKeyWHRWNWPWKIXQKK-UHFFFAOYSA-N
XLogP5.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176898
2-(2,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 109176722
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyrimidine-4-carboxamide
CID 109317361
2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 109177809
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
2-(3-chloro-4-fluoroanilino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109269252

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide (CID 109177743) is N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide?
The InChIKey is WHRWNWPWKIXQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c19-13-9-12(2-3-14(13)21)24-18(26)10-5-6-23-17(7-10)25-16-4-1-11(20)8-15(16)22/h1-9H,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide has a molecular weight of 377.75 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).