N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide

C12H19N3OS — CID 115903909

IUPACN,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
SMILESCSC(C)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C12H19N3OS/c1-9(17-4)7-13-11-6-5-10(8-14-11)12(16)15(2)3/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyVUZJLWPDYYGXEQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.95
Rot. Bonds5

About N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide

N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide (PubChem CID 115903909) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
PubChem CID115903909
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
SMILESCSC(C)CNc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C12H19N3OS/c1-9(17-4)7-13-11-6-5-10(8-14-11)12(16)15(2)3/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyVUZJLWPDYYGXEQ-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-3-carboxamide
CID 115623811
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 133308195
N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-[(2-hydroxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 115898968
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-(6-hydroxyhexylamino)-N,N-dimethylpyridine-3-carboxamide
CID 103918113
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956162
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide (CID 115903909) is N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide is CSC(C)CNc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide?
The InChIKey is VUZJLWPDYYGXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(17-4)7-13-11-6-5-10(8-14-11)12(16)15(2)3/h5-6,8-9H,7H2,1-4H3,(H,13,14).
What are the key properties of N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide?
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 115903909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).