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

C19H15ClFN3O — CID 109177698

IUPACN-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cccc(F)c3)c2)cc1Cl
InChIInChI=1S/C19H15ClFN3O/c1-12-5-6-16(11-17(12)20)24-19(25)13-7-8-22-18(9-13)23-15-4-2-3-14(21)10-15/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyPLCABMAGABAARF-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

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

N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide (PubChem CID 109177698) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
PubChem CID109177698
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cccc(F)c3)c2)cc1Cl
InChIInChI=1S/C19H15ClFN3O/c1-12-5-6-16(11-17(12)20)24-19(25)13-7-8-22-18(9-13)23-15-4-2-3-14(21)10-15/h2-11H,1H3,(H,22,23)(H,24,25)
InChIKeyPLCABMAGABAARF-UHFFFAOYSA-N
XLogP5.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 109177807
5-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109293178
6-(3-chloro-4-methylanilino)-N-(3-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850309
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460
N-(3-chloro-4-methylphenyl)-3-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327113
N-(3-chloro-4-methylphenyl)-2-(quinolin-8-ylamino)pyridine-4-carboxamide
CID 109177701
N-(3-chloro-4-methoxyphenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176255
2-N-(3-chloro-4-fluorophenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092972
N-(3-fluorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62166192
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide (CID 109177698) is N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3cccc(F)c3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide?
The InChIKey is PLCABMAGABAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-5-6-16(11-17(12)20)24-19(25)13-7-8-22-18(9-13)23-15-4-2-3-14(21)10-15/h2-11H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide has a molecular weight of 355.80 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-fluoroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).