N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

C18H12Cl2FN3O — CID 109244353

IUPACN-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H12Cl2FN3O/c19-15-2-1-3-16(17(15)20)24-18(25)11-8-14(10-22-9-11)23-13-6-4-12(21)5-7-13/h1-10,23H,(H,24,25)
InChIKeyLKBABXHIELRLGC-UHFFFAOYSA-N
MW376.22 g/mol
LogP5.52
Rot. Bonds4

About N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide

N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (PubChem CID 109244353) has the molecular formula C18H12Cl2FN3O and a molecular weight of 376.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
PubChem CID109244353
Molecular FormulaC18H12Cl2FN3O
Molecular Weight376.22 g/mol
Exact Mass375.03
IUPAC NameN-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cncc(Nc2ccc(F)cc2)c1
InChIInChI=1S/C18H12Cl2FN3O/c19-15-2-1-3-16(17(15)20)24-18(25)11-8-14(10-22-9-11)23-13-6-4-12(21)5-7-13/h1-10,23H,(H,24,25)
InChIKeyLKBABXHIELRLGC-UHFFFAOYSA-N
XLogP5.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.22
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244351
N-(4-chloro-2-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244302
N-(2-chlorophenyl)-5-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109244388
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
N-(2,3-dichlorophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109229435
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
5-(2,4-dichloroanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109244281
5-(3-chloroanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109244550
methyl 3-[[5-(4-fluoroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109244328
N-(2-chlorophenyl)-5-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109243068
5-(2,3-dichloroanilino)-N-propylpyridine-3-carboxamide
CID 109222945

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide (CID 109244353) is N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cncc(Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is LKBABXHIELRLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O/c19-15-2-1-3-16(17(15)20)24-18(25)11-8-14(10-22-9-11)23-13-6-4-12(21)5-7-13/h1-10,23H,(H,24,25).
What are the key properties of N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide?
N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 376.22 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109244353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).