2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

C17H20N2OS — CID 4877259

IUPAC2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)15-9-6-12-18-17(15)21-2/h3-9,12-13H,10-11H2,1-2H3,(H,19,20)
InChIKeyKIPHVPZAMSRTGZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.55
Rot. Bonds6

About 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 4877259) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
PubChem CID4877259
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C17H20N2OS/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)15-9-6-12-18-17(15)21-2/h3-9,12-13H,10-11H2,1-2H3,(H,19,20)
InChIKeyKIPHVPZAMSRTGZ-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 2778555
4-ethyl-2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyrimidine-5-carboxamide
CID 20913799
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
2-methylsulfanyl-N-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 25486041
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(2-benzylsulfanylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 20969002
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 16563602

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (CID 4877259) is 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is CSc1ncccc1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is KIPHVPZAMSRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13(10-11-14-7-4-3-5-8-14)19-16(20)15-9-6-12-18-17(15)21-2/h3-9,12-13H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4877259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).