N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide

C16H18N2OS — CID 110795974

IUPACN-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide
SMILESCCSc1ccc(CCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N2OS/c1-2-20-14-8-6-13(7-9-14)10-12-18-16(19)15-5-3-4-11-17-15/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyVUIIWGGDKVRICW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.17
Rot. Bonds6

About N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide

N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 110795974) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide
PubChem CID110795974
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide
SMILESCCSc1ccc(CCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N2OS/c1-2-20-14-8-6-13(7-9-14)10-12-18-16(19)15-5-3-4-11-17-15/h3-9,11H,2,10,12H2,1H3,(H,18,19)
InChIKeyVUIIWGGDKVRICW-UHFFFAOYSA-N
XLogP3.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
N-[2-(2-hydroxyphenyl)ethyl]pyridine-2-carboxamide
CID 110672365
N-[2-(4-ethylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115175935
N-[2-(1,3-benzoxazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110796039
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
2-(ethylamino)-N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 115158053
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide (CID 110795974) is N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide is CCSc1ccc(CCNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is VUIIWGGDKVRICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-2-20-14-8-6-13(7-9-14)10-12-18-16(19)15-5-3-4-11-17-15/h3-9,11H,2,10,12H2,1H3,(H,18,19).
What are the key properties of N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide?
N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylsulfanylphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 110795974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).