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

C19H15ClFN3O — CID 109197308

IUPAC5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3ccc(F)c(Cl)c3)cn2)c1
InChIInChI=1S/C19H15ClFN3O/c1-12-3-2-4-13(9-12)24-19(25)18-8-6-15(11-22-18)23-14-5-7-17(21)16(20)10-14/h2-11,23H,1H3,(H,24,25)
InChIKeyRMOSOBYLYPZOBT-UHFFFAOYSA-N
MW355.80 g/mol
LogP5.18
Rot. Bonds4

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

5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 109197308) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID109197308
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(Nc3ccc(F)c(Cl)c3)cn2)c1
InChIInChI=1S/C19H15ClFN3O/c1-12-3-2-4-13(9-12)24-19(25)18-8-6-15(11-22-18)23-14-5-7-17(21)16(20)10-14/h2-11,23H,1H3,(H,24,25)
InChIKeyRMOSOBYLYPZOBT-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

N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109199519
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
5-(3-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197351
5-(3-acetamidoanilino)-N-(3-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 109199474
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
5-(3,4-difluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199817
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
5-(3,5-dimethylanilino)-N-phenylpyridine-2-carboxamide
CID 109196969

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide (CID 109197308) is 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(Nc3ccc(F)c(Cl)c3)cn2)c1.
What is the InChIKey of 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is RMOSOBYLYPZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-12-3-2-4-13(9-12)24-19(25)18-8-6-15(11-22-18)23-14-5-7-17(21)16(20)10-14/h2-11,23H,1H3,(H,24,25).
What are the key properties of 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide?
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-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 5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109197308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).