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

C20H17ClFN3O2 — CID 109177730

IUPACN-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C20H17ClFN3O2/c1-12-3-6-18(27-2)17(9-12)25-19-10-13(7-8-23-19)20(26)24-14-4-5-16(22)15(21)11-14/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyQRTZKQJQDQZIKQ-UHFFFAOYSA-N
MW385.83 g/mol
LogP5.19
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide (PubChem CID 109177730) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
PubChem CID109177730
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
SMILESCOc1ccc(C)cc1Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C20H17ClFN3O2/c1-12-3-6-18(27-2)17(9-12)25-19-10-13(7-8-23-19)20(26)24-14-4-5-16(22)15(21)11-14/h3-11H,1-2H3,(H,23,25)(H,24,26)
InChIKeyQRTZKQJQDQZIKQ-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-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
N-(3-acetylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109178248
N-(4-ethylphenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109176882
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092969
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide (CID 109177730) is N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide is COc1ccc(C)cc1Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide?
The InChIKey is QRTZKQJQDQZIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c1-12-3-6-18(27-2)17(9-12)25-19-10-13(7-8-23-19)20(26)24-14-4-5-16(22)15(21)11-14/h3-11H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)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-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).