N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide

C15H15ClN2OS — CID 5179696

IUPACN-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H15ClN2OS/c1-2-9-20-14-8-3-11(10-17-14)15(19)18-13-6-4-12(16)5-7-13/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyZEQUSVXKMNXSLM-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.49
Rot. Bonds5

About N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide

N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide (PubChem CID 5179696) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide
PubChem CID5179696
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide
SMILESCCCSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C15H15ClN2OS/c1-2-9-20-14-8-3-11(10-17-14)15(19)18-13-6-4-12(16)5-7-13/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyZEQUSVXKMNXSLM-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide (CID 5179696) is N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide is CCCSc1ccc(C(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide?
The InChIKey is ZEQUSVXKMNXSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-2-9-20-14-8-3-11(10-17-14)15(19)18-13-6-4-12(16)5-7-13/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide?
N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-propylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 5179696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).