4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide

C11H17N3O3S — CID 81242256

IUPAC4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-12-10-4-6-13-8-9(10)11(15)14-5-3-7-18(2,16)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMGOBMZBKIPYOMJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.29
Rot. Bonds6

About 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide

4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide (PubChem CID 81242256) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
PubChem CID81242256
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C11H17N3O3S/c1-12-10-4-6-13-8-9(10)11(15)14-5-3-7-18(2,16)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMGOBMZBKIPYOMJ-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

N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
N-[2-(methanesulfonamido)-2-methylpropyl]-4-(methylamino)pyridine-3-carboxamide
CID 81241660
4-hydrazinyl-N-(2-sulfamoylethyl)pyridine-3-carboxamide
CID 81256506
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide (CID 81242256) is 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide is CNc1ccncc1C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
The InChIKey is MGOBMZBKIPYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-12-10-4-6-13-8-9(10)11(15)14-5-3-7-18(2,16)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide?
4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-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 4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81242256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).