3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide

C10H13N3OS — CID 62306669

IUPAC3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
SMILESCc1cccc(CNC(=O)CC(N)=S)n1
InChIInChI=1S/C10H13N3OS/c1-7-3-2-4-8(13-7)6-12-10(14)5-9(11)15/h2-4H,5-6H2,1H3,(H2,11,15)(H,12,14)
InChIKeyABUXAYBEOLKLGB-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.68
Rot. Bonds4

About 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide

3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide (PubChem CID 62306669) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide.

Molecular Properties

Compound Name3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
PubChem CID62306669
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
SMILESCc1cccc(CNC(=O)CC(N)=S)n1
InChIInChI=1S/C10H13N3OS/c1-7-3-2-4-8(13-7)6-12-10(14)5-9(11)15/h2-4H,5-6H2,1H3,(H2,11,15)(H,12,14)
InChIKeyABUXAYBEOLKLGB-UHFFFAOYSA-N
XLogP0.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 87041322
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
CID 62323721
2-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 62306837
2-amino-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 62307698
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
3-[(6-methyl-2-pyridinyl)methylamino]propanamide
CID 62323562
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912
5-amino-N-[(6-methyl-2-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113381971
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide?
The IUPAC name of 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide (CID 62306669) is 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide.
What is the SMILES notation for 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide?
The canonical SMILES for 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide is Cc1cccc(CNC(=O)CC(N)=S)n1.
What is the InChIKey of 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide?
The InChIKey is ABUXAYBEOLKLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-3-2-4-8(13-7)6-12-10(14)5-9(11)15/h2-4H,5-6H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide?
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide has a molecular weight of 223.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide is sourced from PubChem (CID 62306669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).