5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide

C11H13N3O3S — CID 63716783

IUPAC5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3O3S/c1-18(16,17)6-2-5-13-11(15)10-4-3-9(7-12)8-14-10/h3-4,8H,2,5-6H2,1H3,(H,13,15)
InChIKeyKTSPOTAPIXKUSZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.12
Rot. Bonds5

About 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide

5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide (PubChem CID 63716783) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
PubChem CID63716783
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C11H13N3O3S/c1-18(16,17)6-2-5-13-11(15)10-4-3-9(7-12)8-14-10/h3-4,8H,2,5-6H2,1H3,(H,13,15)
InChIKeyKTSPOTAPIXKUSZ-UHFFFAOYSA-N
XLogP0.12
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
5-bromo-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 55210079
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide (CID 63716783) is 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide is CS(=O)(=O)CCCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
The InChIKey is KTSPOTAPIXKUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-18(16,17)6-2-5-13-11(15)10-4-3-9(7-12)8-14-10/h3-4,8H,2,5-6H2,1H3,(H,13,15).
What are the key properties of 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide?
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 63716783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).