2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide

C15H14ClFN2OS — CID 26635822

IUPAC2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1cccnc1Cl
InChIInChI=1S/C15H14ClFN2OS/c16-14-13(3-1-8-18-14)15(20)19-9-2-10-21-12-6-4-11(17)5-7-12/h1,3-8H,2,9-10H2,(H,19,20)
InChIKeyGPPOIKCSCBCXCO-UHFFFAOYSA-N
MW324.81 g/mol
LogP3.79
Rot. Bonds6

About 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide

2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide (PubChem CID 26635822) has the molecular formula C15H14ClFN2OS and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
PubChem CID26635822
Molecular FormulaC15H14ClFN2OS
Molecular Weight324.81 g/mol
Exact Mass324.05
IUPAC Name2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1cccnc1Cl
InChIInChI=1S/C15H14ClFN2OS/c16-14-13(3-1-8-18-14)15(20)19-9-2-10-21-12-6-4-11(17)5-7-12/h1,3-8H,2,9-10H2,(H,19,20)
InChIKeyGPPOIKCSCBCXCO-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 53409120
2-chloro-N-(11-hydroxyundecyl)pyridine-3-carboxamide
CID 19791110
2-chloro-N-(2-sulfanylethyl)pyridine-3-carboxamide
CID 170601971
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
N-(2-benzamidoethyl)-2-chloropyridine-3-carboxamide
CID 38202326
2-chloro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]pyridine-3-carboxamide
CID 41241044
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
N-(cycloheptylmethyl)-2-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide
CID 46909116
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide (CID 26635822) is 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide is O=C(NCCCSc1ccc(F)cc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
The InChIKey is GPPOIKCSCBCXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2OS/c16-14-13(3-1-8-18-14)15(20)19-9-2-10-21-12-6-4-11(17)5-7-12/h1,3-8H,2,9-10H2,(H,19,20).
What are the key properties of 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide?
2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-fluorophenyl)sulfanylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 26635822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).