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

C10H15N3OS — CID 105071212

IUPAC3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCSCC(C)NC(=O)c1ccncc1N
InChIInChI=1S/C10H15N3OS/c1-7(6-15-2)13-10(14)8-3-4-12-5-9(8)11/h3-5,7H,6,11H2,1-2H3,(H,13,14)
InChIKeyBYIJTPRXYGDABB-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.15
Rot. Bonds4

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

3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 105071212) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
PubChem CID105071212
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
SMILESCSCC(C)NC(=O)c1ccncc1N
InChIInChI=1S/C10H15N3OS/c1-7(6-15-2)13-10(14)8-3-4-12-5-9(8)11/h3-5,7H,6,11H2,1-2H3,(H,13,14)
InChIKeyBYIJTPRXYGDABB-UHFFFAOYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 105069738
3-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-4-carboxamide
CID 105069963
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 114131524
3-amino-N-(1-methylcyclopropyl)pyridine-4-carboxamide
CID 105071254
3-amino-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 105070428
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide (CID 105071212) is 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is CSCC(C)NC(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is BYIJTPRXYGDABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(6-15-2)13-10(14)8-3-4-12-5-9(8)11/h3-5,7H,6,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide?
3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 105071212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).