N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide

C15H15ClFN3OS — CID 130449974

IUPACN-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
SMILESCC(C)SNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C15H15ClFN3OS/c1-9(2)22-20-14-7-10(5-6-18-14)15(21)19-11-3-4-13(17)12(16)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHTYUTIVFZMIRHQ-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.59
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide (PubChem CID 130449974) has the molecular formula C15H15ClFN3OS and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
PubChem CID130449974
Molecular FormulaC15H15ClFN3OS
Molecular Weight339.82 g/mol
Exact Mass339.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
SMILESCC(C)SNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C15H15ClFN3OS/c1-9(2)22-20-14-7-10(5-6-18-14)15(21)19-11-3-4-13(17)12(16)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHTYUTIVFZMIRHQ-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449984
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
CID 121380207
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380288
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide (CID 130449974) is N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide is CC(C)SNc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
The InChIKey is HTYUTIVFZMIRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3OS/c1-9(2)22-20-14-7-10(5-6-18-14)15(21)19-11-3-4-13(17)12(16)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide is sourced from PubChem (CID 130449974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).