5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide

C11H17N3OS — CID 104641430

IUPAC5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCCSC)nc1
InChIInChI=1S/C11H17N3OS/c1-12-9-4-5-10(14-8-9)11(15)13-6-3-7-16-2/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyPAOFJWHSQHRFMW-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.61
Rot. Bonds6

About 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide

5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide (PubChem CID 104641430) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
PubChem CID104641430
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
SMILESCNc1ccc(C(=O)NCCCSC)nc1
InChIInChI=1S/C11H17N3OS/c1-12-9-4-5-10(14-8-9)11(15)13-6-3-7-16-2/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyPAOFJWHSQHRFMW-UHFFFAOYSA-N
XLogP1.61
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.61
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-(3-methylsulfanylpropylcarbamoyl)pyridine-3-carboxylic acid
CID 63959923
N-[3-(methanesulfonamido)propyl]-5-(methylamino)pyridine-2-carboxamide
CID 106342397
5-(methylamino)-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 104641118
5-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050159
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104641145
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
N-[2-(furan-2-yl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 113436120
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide (CID 104641430) is 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide is CNc1ccc(C(=O)NCCCSC)nc1.
What is the InChIKey of 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
The InChIKey is PAOFJWHSQHRFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-12-9-4-5-10(14-8-9)11(15)13-6-3-7-16-2/h4-5,8,12H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide?
5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 104641430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).