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

C23H22FN3OS — CID 60509420

IUPACN-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C23H22FN3OS/c24-16-5-3-6-18(15-16)26-22-21(9-4-14-25-22)23(28)27-17-10-12-20(13-11-17)29-19-7-1-2-8-19/h3-6,9-15,19H,1-2,7-8H2,(H,25,26)(H,27,28)
InChIKeyPBQHLTGYPJRKDR-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.25
Rot. Bonds6

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

N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide (PubChem CID 60509420) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
PubChem CID60509420
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(SC2CCCC2)cc1)c1cccnc1Nc1cccc(F)c1
InChIInChI=1S/C23H22FN3OS/c24-16-5-3-6-18(15-16)26-22-21(9-4-14-25-22)23(28)27-17-10-12-20(13-11-17)29-19-7-1-2-8-19/h3-6,9-15,19H,1-2,7-8H2,(H,25,26)(H,27,28)
InChIKeyPBQHLTGYPJRKDR-UHFFFAOYSA-N
XLogP6.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-fluorophenyl)-2-(4-methylanilino)pyridine-3-carboxamide
CID 23632549
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 86898718
2-(3-fluoroanilino)-N-methoxypyridine-3-carboxamide
CID 47246328
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
2-(3-bromoanilino)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 23632626
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
[2-(3-fluoroanilino)-3-pyridinyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575323
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide (CID 60509420) is N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide is O=C(Nc1ccc(SC2CCCC2)cc1)c1cccnc1Nc1cccc(F)c1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is PBQHLTGYPJRKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c24-16-5-3-6-18(15-16)26-22-21(9-4-14-25-22)23(28)27-17-10-12-20(13-11-17)29-19-7-1-2-8-19/h3-6,9-15,19H,1-2,7-8H2,(H,25,26)(H,27,28).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide?
N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2-(3-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 60509420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).