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

C20H17ClFN3O2 — CID 109177274

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(Nc2ccccc2F)c1
InChIInChI=1S/C20H17ClFN3O2/c1-12-9-17(18(27-2)11-14(12)21)25-20(26)13-7-8-23-19(10-13)24-16-6-4-3-5-15(16)22/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyVFNWWMGSRQDRDZ-UHFFFAOYSA-N
MW385.83 g/mol
LogP5.19
Rot. Bonds5

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

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide (PubChem CID 109177274) 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)-2-(2-fluoroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
PubChem CID109177274
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccnc(Nc2ccccc2F)c1
InChIInChI=1S/C20H17ClFN3O2/c1-12-9-17(18(27-2)11-14(12)21)25-20(26)13-7-8-23-19(10-13)24-16-6-4-3-5-15(16)22/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyVFNWWMGSRQDRDZ-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

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
2-(2-chloroanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177396
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
N-(2-ethoxyphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177245
2-N-(4-chloro-2-methoxy-5-methylphenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903458
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 109355962
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171981
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(5-chloro-2-methoxyphenyl)-2-(2-cyanoanilino)pyridine-4-carboxamide
CID 109177830

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide (CID 109177274) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccnc(Nc2ccccc2F)c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide?
The InChIKey is VFNWWMGSRQDRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-9-17(18(27-2)11-14(12)21)25-20(26)13-7-8-23-19(10-13)24-16-6-4-3-5-15(16)22/h3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-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)-2-(2-fluoroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).