2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide

C13H20N2OS — CID 171108763

IUPAC2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1SC(C)(C)C
InChIInChI=1S/C13H20N2OS/c1-9(2)15-11(16)10-7-6-8-14-12(10)17-13(3,4)5/h6-9H,1-5H3,(H,15,16)
InChIKeyBZPKOFKPGALTFX-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.11
Rot. Bonds3

About 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide

2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 171108763) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID171108763
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1SC(C)(C)C
InChIInChI=1S/C13H20N2OS/c1-9(2)15-11(16)10-7-6-8-14-12(10)17-13(3,4)5/h6-9H,1-5H3,(H,15,16)
InChIKeyBZPKOFKPGALTFX-UHFFFAOYSA-N
XLogP3.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-2-methylsulfanylpyridine-3-carboxamide
CID 16563602
2-[(3-methoxycarbonyl-2-pyridinyl)sulfanyl]-2-methylpropanoic acid
CID 81230057
tert-butyl N-[5-(2-tert-butylsulfanyl-3-pyridinyl)-5-oxopentyl]carbamate
CID 102542254
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
(2S)-2-[[2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylpyridine-3-carbonyl]amino]propanoic acid
CID 119943356
methyl 2-[(2-ethylsulfanylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate
CID 4662925
N-[1-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 75447518
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
2-methylsulfanyl-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4877259
4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 2778555

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide (CID 171108763) is 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cccnc1SC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BZPKOFKPGALTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)15-11(16)10-7-6-8-14-12(10)17-13(3,4)5/h6-9H,1-5H3,(H,15,16).
What are the key properties of 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide?
2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 171108763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).