N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide

C15H15F2N3OS — CID 130449984

IUPACN-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
SMILESCC(C)SNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C15H15F2N3OS/c1-9(2)22-20-14-7-10(5-6-18-14)15(21)19-11-3-4-12(16)13(17)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyPDNBOFFUIASHRP-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.08
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide

N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide (PubChem CID 130449984) has the molecular formula C15H15F2N3OS and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
PubChem CID130449984
Molecular FormulaC15H15F2N3OS
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
SMILESCC(C)SNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C15H15F2N3OS/c1-9(2)22-20-14-7-10(5-6-18-14)15(21)19-11-3-4-12(16)13(17)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyPDNBOFFUIASHRP-UHFFFAOYSA-N
XLogP4.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-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

N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-(3,4-difluorophenyl)-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109176615
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
2-N-butan-2-yl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109080310
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
ethyl 2-[[4-[(3,4-difluorophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109179002
2-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 109178842
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide (CID 130449984) is N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide is CC(C)SNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
The InChIKey is PDNBOFFUIASHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3OS/c1-9(2)22-20-14-7-10(5-6-18-14)15(21)19-11-3-4-12(16)13(17)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide is sourced from PubChem (CID 130449984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).