3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide

C11H17N3OS — CID 105071045

IUPAC3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCSCC(C)N(C)C(=O)c1ccncc1N
InChIInChI=1S/C11H17N3OS/c1-8(7-16-3)14(2)11(15)9-4-5-13-6-10(9)12/h4-6,8H,7,12H2,1-3H3
InChIKeyZXZSZPPPWVVJPD-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.49
Rot. Bonds4

About 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide

3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 105071045) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
PubChem CID105071045
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCSCC(C)N(C)C(=O)c1ccncc1N
InChIInChI=1S/C11H17N3OS/c1-8(7-16-3)14(2)11(15)9-4-5-13-6-10(9)12/h4-6,8H,7,12H2,1-3H3
InChIKeyZXZSZPPPWVVJPD-UHFFFAOYSA-N
XLogP1.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 112664221
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071212
3-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 115667187
3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112551650
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpyridine-4-carboxamide
CID 105071219
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (CID 105071045) is 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is CSCC(C)N(C)C(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is ZXZSZPPPWVVJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(7-16-3)14(2)11(15)9-4-5-13-6-10(9)12/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105071045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).