2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide

C19H14ClF2N3O2 — CID 109177809

IUPAC2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3F)ccn2)cc1Cl
InChIInChI=1S/C19H14ClF2N3O2/c1-27-17-5-3-13(10-14(17)20)24-18-8-11(6-7-23-18)19(26)25-16-4-2-12(21)9-15(16)22/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyYFBJUHSKUHEGEV-UHFFFAOYSA-N
MW389.79 g/mol
LogP5.02
Rot. Bonds5

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

2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide (PubChem CID 109177809) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
PubChem CID109177809
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3F)ccn2)cc1Cl
InChIInChI=1S/C19H14ClF2N3O2/c1-27-17-5-3-13(10-14(17)20)24-18-8-11(6-7-23-18)19(26)25-16-4-2-12(21)9-15(16)22/h2-10H,1H3,(H,23,24)(H,25,26)
InChIKeyYFBJUHSKUHEGEV-UHFFFAOYSA-N
XLogP5.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.79
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-(4-acetylphenyl)-2-(3-chloro-4-methoxyanilino)pyridine-4-carboxamide
CID 109177805
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
2-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109178357
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
N-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109177330
N-(4-chlorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109177506
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide (CID 109177809) is 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(F)cc3F)ccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
The InChIKey is YFBJUHSKUHEGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-27-17-5-3-13(10-14(17)20)24-18-8-11(6-7-23-18)19(26)25-16-4-2-12(21)9-15(16)22/h2-10H,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide?
2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide has a molecular weight of 389.79 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(2,4-difluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).