6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide

C13H21N3OS — CID 103832168

IUPAC6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1cccc(N)n1)SC
InChIInChI=1S/C13H21N3OS/c1-4-13(5-2,18-3)9-15-12(17)10-7-6-8-11(14)16-10/h6-8H,4-5,9H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyOCWMTDAWBZBEHW-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.32
Rot. Bonds6

About 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide

6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide (PubChem CID 103832168) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide
PubChem CID103832168
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide
SMILESCCC(CC)(CNC(=O)c1cccc(N)n1)SC
InChIInChI=1S/C13H21N3OS/c1-4-13(5-2,18-3)9-15-12(17)10-7-6-8-11(14)16-10/h6-8H,4-5,9H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyOCWMTDAWBZBEHW-UHFFFAOYSA-N
XLogP2.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(2-methyl-2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115753164
6-amino-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 62238608
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103822118
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
CID 114129261
6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 62240593
6-amino-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 62641667
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
6-amino-N-benzylpyridine-2-carboxamide
CID 62240949
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999117
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 71114856
6-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62238827

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide (CID 103832168) is 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide is CCC(CC)(CNC(=O)c1cccc(N)n1)SC.
What is the InChIKey of 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide?
The InChIKey is OCWMTDAWBZBEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-13(5-2,18-3)9-15-12(17)10-7-6-8-11(14)16-10/h6-8H,4-5,9H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide?
6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103832168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).