5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide

C11H16ClN3OS — CID 63963372

IUPAC5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCCSC)cc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-13-10-9(12)6-8(7-15-10)11(16)14-4-3-5-17-2/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyXAZSREDOWHJLGU-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.26
Rot. Bonds6

About 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide

5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide (PubChem CID 63963372) has the molecular formula C11H16ClN3OS and a molecular weight of 273.79 g/mol. Its IUPAC name is 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
PubChem CID63963372
Molecular FormulaC11H16ClN3OS
Molecular Weight273.79 g/mol
Exact Mass273.07
IUPAC Name5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)NCCCSC)cc1Cl
InChIInChI=1S/C11H16ClN3OS/c1-13-10-9(12)6-8(7-15-10)11(16)14-4-3-5-17-2/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyXAZSREDOWHJLGU-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.26
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

5,6-dichloro-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63964074
5,6-dichloro-N-(4-methylsulfanylbutyl)pyridine-3-carboxamide
CID 115635827
5-chloro-6-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 106433045
2-[[5-chloro-6-(methylamino)pyridine-3-carbonyl]amino]ethyl carbamate
CID 83215751
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449
5-chloro-N-(2,2-dimethylbutyl)-6-(methylamino)pyridine-3-carboxamide
CID 103464504
5-chloro-6-hydrazinyl-N-(5-methylhexyl)pyridine-3-carboxamide
CID 113287874
5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
5-chloro-6-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 62312710
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106280091
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide (CID 63963372) is 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide is CNc1ncc(C(=O)NCCCSC)cc1Cl.
What is the InChIKey of 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
The InChIKey is XAZSREDOWHJLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3OS/c1-13-10-9(12)6-8(7-15-10)11(16)14-4-3-5-17-2/h6-7H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide?
5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide has a molecular weight of 273.79 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(methylamino)-N-(3-methylsulfanylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 63963372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).