6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide

C11H17N3O3S — CID 62238654

IUPAC6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCCCS(C)(=O)=O)n1
InChIInChI=1S/C11H17N3O3S/c1-12-10-6-3-5-9(14-10)11(15)13-7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYJUCVUHXVCSLOP-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.29
Rot. Bonds6

About 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide

6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide (PubChem CID 62238654) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
PubChem CID62238654
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
SMILESCNc1cccc(C(=O)NCCCS(C)(=O)=O)n1
InChIInChI=1S/C11H17N3O3S/c1-12-10-6-3-5-9(14-10)11(15)13-7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYJUCVUHXVCSLOP-UHFFFAOYSA-N
XLogP0.29
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342479
N-(5-amino-5-oxopentyl)-6-(methylamino)pyridine-2-carboxamide
CID 114162803
6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050169
6-(methylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-2-carboxamide
CID 79557087
6-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 62240593
6-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62240294
6-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342410
N-[2-(4-methoxyphenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62239248
6-(3-methylsulfonylpropylamino)pyridine-2-carbothioamide
CID 64587863
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 55126391
4-amino-N-(3-methylsulfonylpropyl)quinoline-2-carboxamide
CID 63375138
6-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 62308602

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide (CID 62238654) is 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide is CNc1cccc(C(=O)NCCCS(C)(=O)=O)n1.
What is the InChIKey of 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
The InChIKey is YJUCVUHXVCSLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-12-10-6-3-5-9(14-10)11(15)13-7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62238654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).