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

C18H12Cl2FN3O — CID 109220837

IUPACN-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Nc2ccc(F)cc2)ccn1
InChIInChI=1S/C18H12Cl2FN3O/c19-15-6-5-13(9-16(15)20)24-18(25)17-10-14(7-8-22-17)23-12-3-1-11(21)2-4-12/h1-10H,(H,22,23)(H,24,25)
InChIKeyQSRNJAVKAJGVMQ-UHFFFAOYSA-N
MW376.22 g/mol
LogP5.52
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide (PubChem CID 109220837) has the molecular formula C18H12Cl2FN3O and a molecular weight of 376.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide
PubChem CID109220837
Molecular FormulaC18H12Cl2FN3O
Molecular Weight376.22 g/mol
Exact Mass375.03
IUPAC NameN-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Nc2ccc(F)cc2)ccn1
InChIInChI=1S/C18H12Cl2FN3O/c19-15-6-5-13(9-16(15)20)24-18(25)17-10-14(7-8-22-17)23-12-3-1-11(21)2-4-12/h1-10H,(H,22,23)(H,24,25)
InChIKeyQSRNJAVKAJGVMQ-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

4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109220451
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
methyl 4-[[2-[(3-chloro-4-methylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109221255
methyl 2-[[4-(4-fluoroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109220818
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(3-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219115

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide (CID 109220837) is N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Nc2ccc(F)cc2)ccn1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide?
The InChIKey is QSRNJAVKAJGVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O/c19-15-6-5-13(9-16(15)20)24-18(25)17-10-14(7-8-22-17)23-12-3-1-11(21)2-4-12/h1-10H,(H,22,23)(H,24,25).
What are the key properties of N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide?
N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-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-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109220837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).