6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide

C12H19N3OS — CID 114129261

IUPAC6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
SMILESCSCCCCCNC(=O)c1cccc(N)n1
InChIInChI=1S/C12H19N3OS/c1-17-9-4-2-3-8-14-12(16)10-6-5-7-11(13)15-10/h5-7H,2-4,8-9H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJKMKDSGZGNBZJJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.93
Rot. Bonds7

About 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide

6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide (PubChem CID 114129261) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
PubChem CID114129261
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide
SMILESCSCCCCCNC(=O)c1cccc(N)n1
InChIInChI=1S/C12H19N3OS/c1-17-9-4-2-3-8-14-12(16)10-6-5-7-11(13)15-10/h5-7H,2-4,8-9H2,1H3,(H2,13,15)(H,14,16)
InChIKeyJKMKDSGZGNBZJJ-UHFFFAOYSA-N
XLogP1.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.93
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

6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
6-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62238827
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 62240593
6-amino-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63962957
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-amino-N-(2-methyl-2-methylsulfanylpropyl)pyridine-2-carboxamide
CID 115753164
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
6-amino-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 62641667
6-amino-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103832168
6-amino-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342484
5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide
CID 107378653

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide (CID 114129261) is 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide is CSCCCCCNC(=O)c1cccc(N)n1.
What is the InChIKey of 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide?
The InChIKey is JKMKDSGZGNBZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-17-9-4-2-3-8-14-12(16)10-6-5-7-11(13)15-10/h5-7H,2-4,8-9H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide?
6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-methylsulfanylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 114129261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).