6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

C12H19N3OS — CID 113304887

IUPAC6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSCCC(C)N(C)C(=O)c1cccc(N)n1
InChIInChI=1S/C12H19N3OS/c1-9(7-8-17-3)15(2)12(16)10-5-4-6-11(13)14-10/h4-6,9H,7-8H2,1-3H3,(H2,13,14)
InChIKeyDWZYZCAVOKSGRS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.88
Rot. Bonds5

About 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide

6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (PubChem CID 113304887) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
PubChem CID113304887
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
SMILESCSCCC(C)N(C)C(=O)c1cccc(N)n1
InChIInChI=1S/C12H19N3OS/c1-9(7-8-17-3)15(2)12(16)10-5-4-6-11(13)14-10/h4-6,9H,7-8H2,1-3H3,(H2,13,14)
InChIKeyDWZYZCAVOKSGRS-UHFFFAOYSA-N
XLogP1.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide;hydrochloride
CID 119999033
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115636242
3-hydroxy-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113366826
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
6-hydrazinyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112664427
N-(1-aminopropan-2-yl)-N,6-dimethylpyridine-2-carboxamide
CID 82507394
4-amino-3,5-dichloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115869170
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
6-amino-N,N-bis(2-methylpropyl)pyridine-2-carboxamide;hydrochloride
CID 119998863
3-amino-4-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 114889363
6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
CID 114129261
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide (CID 113304887) is 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is CSCCC(C)N(C)C(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
The InChIKey is DWZYZCAVOKSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(7-8-17-3)15(2)12(16)10-5-4-6-11(13)14-10/h4-6,9H,7-8H2,1-3H3,(H2,13,14).
What are the key properties of 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide?
6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 113304887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).