2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide

C10H15N3OS — CID 114326601

IUPAC2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
SMILESCSCCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C10H15N3OS/c1-15-5-4-13-10(14)8-2-3-12-9(6-8)7-11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyJBHMMWMMOYGIEQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.63
Rot. Bonds5

About 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide (PubChem CID 114326601) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
PubChem CID114326601
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
SMILESCSCCNC(=O)c1ccnc(CN)c1
InChIInChI=1S/C10H15N3OS/c1-15-5-4-13-10(14)8-2-3-12-9(6-8)7-11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14)
InChIKeyJBHMMWMMOYGIEQ-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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

N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900
2-(aminomethyl)-N-(2-ethylsulfinylethyl)pyridine-4-carboxamide
CID 104844461
2-amino-N-(3-methylsulfanylpropyl)pyridine-4-carboxamide
CID 63962518
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-pent-4-ynylpyridine-4-carboxamide
CID 104860710
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
2-N,6-N-bis(2-methylsulfanylethyl)naphthalene-2,6-dicarboxamide
CID 58451849
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529343

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide (CID 114326601) is 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide is CSCCNC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
The InChIKey is JBHMMWMMOYGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-5-4-13-10(14)8-2-3-12-9(6-8)7-11/h2-3,6H,4-5,7,11H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).