2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide

C10H15N3OS — CID 63962518

IUPAC2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCCCNC(=O)c1ccnc(N)c1
InChIInChI=1S/C10H15N3OS/c1-15-6-2-4-13-10(14)8-3-5-12-9(11)7-8/h3,5,7H,2,4,6H2,1H3,(H2,11,12)(H,13,14)
InChIKeyWFGBVRQVIKTSAR-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.15
Rot. Bonds5

About 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide

2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide (PubChem CID 63962518) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
PubChem CID63962518
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
SMILESCSCCCNC(=O)c1ccnc(N)c1
InChIInChI=1S/C10H15N3OS/c1-15-6-2-4-13-10(14)8-3-5-12-9(11)7-8/h3,5,7H,2,4,6H2,1H3,(H2,11,12)(H,13,14)
InChIKeyWFGBVRQVIKTSAR-UHFFFAOYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.15
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

2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
2-amino-N-(5,5,5-trifluoropentyl)pyridine-4-carboxamide
CID 115522139
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
4-amino-N-(3-methylsulfanylpropyl)benzamide
CID 63981762
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
2-amino-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 62155665
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
3-(N'-hydroxycarbamimidoyl)-N-(3-methylsulfanylpropyl)benzamide
CID 76996492
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide (CID 63962518) is 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide is CSCCCNC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide?
The InChIKey is WFGBVRQVIKTSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-6-2-4-13-10(14)8-3-5-12-9(11)7-8/h3,5,7H,2,4,6H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide?
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 63962518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).