3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

C12H19N3OS — CID 105070238

IUPAC3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(C)CSC
InChIInChI=1S/C12H19N3OS/c1-9(8-17-3)6-15-12(16)10-4-5-14-7-11(10)13-2/h4-5,7,9,13H,6,8H2,1-3H3,(H,15,16)
InChIKeyUSQNVSBOLGZYTM-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.85
Rot. Bonds6

About 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide

3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 105070238) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID105070238
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCC(C)CSC
InChIInChI=1S/C12H19N3OS/c1-9(8-17-3)6-15-12(16)10-4-5-14-7-11(10)13-2/h4-5,7,9,13H,6,8H2,1-3H3,(H,15,16)
InChIKeyUSQNVSBOLGZYTM-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-(2,3-dimethoxypropyl)-3-(methylamino)pyridine-4-carboxamide
CID 114101845
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
3-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 105069629
3-(methylamino)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 105070730
N-[2-(dimethylamino)-2-methylpropyl]-3-(methylamino)pyridine-4-carboxamide
CID 105069666
3-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070655
2-chloro-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964965
4-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63961042
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-hydrazinyl-N-(2-methoxypropyl)pyridine-4-carboxamide
CID 102700639

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide (CID 105070238) is 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is CNc1cnccc1C(=O)NCC(C)CSC.
What is the InChIKey of 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is USQNVSBOLGZYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9(8-17-3)6-15-12(16)10-4-5-14-7-11(10)13-2/h4-5,7,9,13H,6,8H2,1-3H3,(H,15,16).
What are the key properties of 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide?
3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 105070238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).