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

C9H13N3OS — CID 63962299

IUPAC4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCSCCNC(=O)c1cc(N)ccn1
InChIInChI=1S/C9H13N3OS/c1-14-5-4-12-9(13)8-6-7(10)2-3-11-8/h2-3,6H,4-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyPGVFKWJAZMFJEU-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.76
Rot. Bonds4

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

4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (PubChem CID 63962299) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
PubChem CID63962299
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
SMILESCSCCNC(=O)c1cc(N)ccn1
InChIInChI=1S/C9H13N3OS/c1-14-5-4-12-9(13)8-6-7(10)2-3-11-8/h2-3,6H,4-5H2,1H3,(H2,10,11)(H,12,13)
InChIKeyPGVFKWJAZMFJEU-UHFFFAOYSA-N
XLogP0.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.76
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

4-amino-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 62154340
4-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963789
4-amino-N-(2-amino-2-oxoethyl)pyridine-2-carboxamide
CID 62156231
4-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62987007
4-amino-N-[2-(3-methylbutoxy)ethyl]pyridine-2-carboxamide
CID 55041484
N-(2-methylsulfanylethyl)-2-[4-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide
CID 58451869
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
4-amino-N-(1,2-oxazol-3-ylmethyl)pyridine-2-carboxamide
CID 81174448
4-amino-N-methoxypyridine-2-carboxamide
CID 170972703
4-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 106262005
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide (CID 63962299) is 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is CSCCNC(=O)c1cc(N)ccn1.
What is the InChIKey of 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
The InChIKey is PGVFKWJAZMFJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-14-5-4-12-9(13)8-6-7(10)2-3-11-8/h2-3,6H,4-5H2,1H3,(H2,10,11)(H,12,13).
What are the key properties of 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide?
4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylsulfanylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 63962299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).