6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide

C20H17ClFN3O2 — CID 109163247

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C20H17ClFN3O2/c1-12-9-17(18(27-2)10-14(12)21)24-19-8-7-13(11-23-19)20(26)25-16-6-4-3-5-15(16)22/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZURMKXVLNGWKPT-UHFFFAOYSA-N
MW385.83 g/mol
LogP5.19
Rot. Bonds5

About 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide

6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (PubChem CID 109163247) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
PubChem CID109163247
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2F)cn1
InChIInChI=1S/C20H17ClFN3O2/c1-12-9-17(18(27-2)10-14(12)21)24-19-8-7-13(11-23-19)20(26)25-16-6-4-3-5-15(16)22/h3-11H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZURMKXVLNGWKPT-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

6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-fluoroanilino)pyridine-4-carboxamide
CID 109177274
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
6-(2-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109163334
5-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293413
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152976

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide (CID 109163247) is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2F)cn1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is ZURMKXVLNGWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-9-17(18(27-2)10-14(12)21)24-19-8-7-13(11-23-19)20(26)25-16-6-4-3-5-15(16)22/h3-11H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)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 6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).