5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide

C12H19N3OS — CID 114247736

IUPAC5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide
SMILESCCSCCCNC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H19N3OS/c1-3-17-6-4-5-14-12(16)11-7-10(13)8-15-9(11)2/h7-8H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyPFSKNIKSVQQDIW-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.85
Rot. Bonds6

About 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide

5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide (PubChem CID 114247736) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide
PubChem CID114247736
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide
SMILESCCSCCCNC(=O)c1cc(N)cnc1C
InChIInChI=1S/C12H19N3OS/c1-3-17-6-4-5-14-12(16)11-7-10(13)8-15-9(11)2/h7-8H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyPFSKNIKSVQQDIW-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 115324400
5-amino-2-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridine-3-carboxamide
CID 114187151
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106033015
5-amino-2-methyl-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61118452
2-amino-N-(3-ethylsulfanylpropyl)-5-methylbenzamide
CID 114247737
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
5-amino-2-bromo-N-hexylpyridine-3-carboxamide
CID 166390886
N-(3-ethylsulfanylpropyl)-2-hydroxy-3-methylbenzamide
CID 114248145

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide (CID 114247736) is 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide is CCSCCCNC(=O)c1cc(N)cnc1C.
What is the InChIKey of 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide?
The InChIKey is PFSKNIKSVQQDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-17-6-4-5-14-12(16)11-7-10(13)8-15-9(11)2/h7-8H,3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide?
5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-ethylsulfanylpropyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 114247736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).