N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

C20H17ClFN3O2 — CID 109244354

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H17ClFN3O2/c1-12-7-18(19(27-2)9-17(12)21)25-20(26)13-8-16(11-23-10-13)24-15-5-3-14(22)4-6-15/h3-11,24H,1-2H3,(H,25,26)
InChIKeyGOUBDFLKUHDAQI-UHFFFAOYSA-N
MW385.83 g/mol
LogP5.19
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109244354) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID109244354
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C20H17ClFN3O2/c1-12-7-18(19(27-2)9-17(12)21)25-20(26)13-8-16(11-23-10-13)24-15-5-3-14(22)4-6-15/h3-11,24H,1-2H3,(H,25,26)
InChIKeyGOUBDFLKUHDAQI-UHFFFAOYSA-N
XLogP5.19
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.83
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylamino)-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109239484
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63864045
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-tert-butyl-5-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109239364
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(2-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242131
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244353
N-(4-fluorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244246
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (CID 109244354) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cncc(Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is GOUBDFLKUHDAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-7-18(19(27-2)9-17(12)21)25-20(26)13-8-16(11-23-10-13)24-15-5-3-14(22)4-6-15/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 385.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).