N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide

C15H16N2OS — CID 42959631

IUPACN-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11(12-3-5-14(19-2)6-4-12)17-15(18)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyUMFICYGGEJLHCV-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.29
Rot. Bonds4

About N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide

N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 42959631) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID42959631
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
SMILESCSc1ccc(C(C)NC(=O)c2ccncc2)cc1
InChIInChI=1S/C15H16N2OS/c1-11(12-3-5-14(19-2)6-4-12)17-15(18)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18)
InChIKeyUMFICYGGEJLHCV-UHFFFAOYSA-N
XLogP3.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 61295487
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230
N-[1-(4-methylsulfanylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46440684
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide (CID 42959631) is N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide is CSc1ccc(C(C)NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is UMFICYGGEJLHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11(12-3-5-14(19-2)6-4-12)17-15(18)13-7-9-16-10-8-13/h3-11H,1-2H3,(H,17,18).
What are the key properties of N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide?
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 42959631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).