5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide

C11H13N3OS — CID 106425176

IUPAC5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
SMILESC#CCSCCNC(=O)c1ccc(N)cn1
InChIInChI=1S/C11H13N3OS/c1-2-6-16-7-5-13-11(15)10-4-3-9(12)8-14-10/h1,3-4,8H,5-7,12H2,(H,13,15)
InChIKeyYZCOIPXKLBRUGL-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.76
Rot. Bonds5

About 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide

5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide (PubChem CID 106425176) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
PubChem CID106425176
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
SMILESC#CCSCCNC(=O)c1ccc(N)cn1
InChIInChI=1S/C11H13N3OS/c1-2-6-16-7-5-13-11(15)10-4-3-9(12)8-14-10/h1,3-4,8H,5-7,12H2,(H,13,15)
InChIKeyYZCOIPXKLBRUGL-UHFFFAOYSA-N
XLogP0.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide 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

5-amino-N-prop-2-ynylpyridine-2-carboxamide
CID 81316148
5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
CID 114187151
5-amino-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107316260
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
5-amino-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-carboxamide
CID 106432187
1-chloro-N-(2-prop-2-ynylsulfanylethyl)isoquinoline-3-carboxamide
CID 103822716
4-(2-prop-2-ynylsulfanylethylcarbamoyl)benzoic acid
CID 114188190
2-N-(2-prop-2-ynylsulfanylethyl)pyrimidine-2,5-diamine
CID 106426074
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 81319681
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
CID 106425236
3-amino-N-(2-prop-2-ynylsulfanylethyl)thieno[2,3-c]pyridine-2-carboxamide
CID 106433595

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide (CID 106425176) is 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide is C#CCSCCNC(=O)c1ccc(N)cn1.
What is the InChIKey of 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide?
The InChIKey is YZCOIPXKLBRUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-6-16-7-5-13-11(15)10-4-3-9(12)8-14-10/h1,3-4,8H,5-7,12H2,(H,13,15).
What are the key properties of 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide?
5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106425176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).