N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide

C14H14N2OS — CID 847808

IUPACN-(4-ethylsulfanylphenyl)pyridine-3-carboxamide
SMILESCCSc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H14N2OS/c1-2-18-13-7-5-12(6-8-13)16-14(17)11-4-3-9-15-10-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyUJUANXUJFDDEQR-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.45
Rot. Bonds4

About N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide

N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 847808) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID847808
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(4-ethylsulfanylphenyl)pyridine-3-carboxamide
SMILESCCSc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H14N2OS/c1-2-18-13-7-5-12(6-8-13)16-14(17)11-4-3-9-15-10-11/h3-10H,2H2,1H3,(H,16,17)
InChIKeyUJUANXUJFDDEQR-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[ethyl(phenyl)amino]-4H-pyrido[3,2-e][1,3]thiazin-4-one
CID 941901
N-(2-amino-5-(thiophen-2-yl)phenyl)nicotinamide
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SX-517
CID 46897162
n-(2-Fluorophenyl)nicotinamide
CID 279880
Phenothiazin-10-yl 3-pyridyl ketone
CID 718425
N-{3-[(thiophen-2-ylcarbonyl)amino]phenyl}pyridine-3-carboxamide
CID 822274
N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 668894
N-(2,6-dimethylphenyl)nicotinamide
CID 767628
N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 654213
N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 747646

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide (CID 847808) is N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide is CCSc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is UJUANXUJFDDEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-2-18-13-7-5-12(6-8-13)16-14(17)11-4-3-9-15-10-11/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide?
N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 258.35 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 847808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).