5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide

C12H15N3OS — CID 114187151

IUPAC5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
SMILESC#CCSCCNC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H15N3OS/c1-3-5-17-6-4-14-12(16)11-7-10(13)8-15-9(11)2/h1,7-8H,4-6,13H2,2H3,(H,14,16)
InChIKeyCEXGTPQEOMCWCH-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.07
Rot. Bonds5

About 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide

5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide (PubChem CID 114187151) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
PubChem CID114187151
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
SMILESC#CCSCCNC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H15N3OS/c1-3-5-17-6-4-14-12(16)11-7-10(13)8-15-9(11)2/h1,7-8H,4-6,13H2,2H3,(H,14,16)
InChIKeyCEXGTPQEOMCWCH-UHFFFAOYSA-N
XLogP1.07
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.07
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'}

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Related Compounds

5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide
CID 114247736
5-amino-N-(2-prop-2-ynylsulfanylethyl)pyridine-2-carboxamide
CID 106425176
5-amino-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-carboxamide
CID 106432187
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
2-amino-N-(2-prop-2-ynylsulfanylethyl)benzamide
CID 103950289
5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
4-amino-1-ethyl-3-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-5-carboxamide
CID 114187167
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
4-amino-1-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-3-carboxamide
CID 106425236

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide (CID 114187151) is 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide is C#CCSCCNC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide?
The InChIKey is CEXGTPQEOMCWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-5-17-6-4-14-12(16)11-7-10(13)8-15-9(11)2/h1,7-8H,4-6,13H2,2H3,(H,14,16).
What are the key properties of 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide?
5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 114187151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).