3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide

C11H15N3OS — CID 106427426

IUPAC3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide
SMILESC=CCSCCNC(=O)c1ncccc1N
InChIInChI=1S/C11H15N3OS/c1-2-7-16-8-6-14-11(15)10-9(12)4-3-5-13-10/h2-5H,1,6-8,12H2,(H,14,15)
InChIKeyAOZGHBJURLIHGY-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.31
Rot. Bonds6

About 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide

3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide (PubChem CID 106427426) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide
PubChem CID106427426
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide
SMILESC=CCSCCNC(=O)c1ncccc1N
InChIInChI=1S/C11H15N3OS/c1-2-7-16-8-6-14-11(15)10-9(12)4-3-5-13-10/h2-5H,1,6-8,12H2,(H,14,15)
InChIKeyAOZGHBJURLIHGY-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425056
3-N-(2-prop-2-enylsulfanylethyl)pyridine-2,3-diamine
CID 106426053
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 104741064
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
CID 114182681
2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106430283
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075
3-amino-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
CID 104741062
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide (CID 106427426) is 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide is C=CCSCCNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide?
The InChIKey is AOZGHBJURLIHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-7-16-8-6-14-11(15)10-9(12)4-3-5-13-10/h2-5H,1,6-8,12H2,(H,14,15).
What are the key properties of 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide?
3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide has a molecular weight of 237.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-prop-2-enylsulfanylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 106427426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).