N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide

C18H13ClFN3O — CID 23632835

IUPACN-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O/c19-12-3-1-4-15(11-12)23-18(24)16-5-2-10-21-17(16)22-14-8-6-13(20)7-9-14/h1-11H,(H,21,22)(H,23,24)
InChIKeyMDHNLOUXMZOYEI-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.87
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide

N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 23632835) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID23632835
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(F)cc1
InChIInChI=1S/C18H13ClFN3O/c19-12-3-1-4-15(11-12)23-18(24)16-5-2-10-21-17(16)22-14-8-6-13(20)7-9-14/h1-11H,(H,21,22)(H,23,24)
InChIKeyMDHNLOUXMZOYEI-UHFFFAOYSA-N
XLogP4.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629
N-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324
2-(3-fluoroanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 23632400
N-(4-bromophenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 23632618
2-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23632674
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
N-(3-chlorophenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357928
N-(3-chlorophenyl)-5-(4-fluoroanilino)pyrazine-2-carboxamide
CID 109292535

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide (CID 23632835) is N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is MDHNLOUXMZOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-12-3-1-4-15(11-12)23-18(24)16-5-2-10-21-17(16)22-14-8-6-13(20)7-9-14/h1-11H,(H,21,22)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 341.77 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 23632835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).