5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide

C11H13N3O2S — CID 113336628

IUPAC5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ccc(C#N)cn1)S(C)=O
InChIInChI=1S/C11H13N3O2S/c1-8(17(2)16)6-14-11(15)10-4-3-9(5-12)7-13-10/h3-4,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyBPBJQWNZBHSSRN-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.45
Rot. Bonds4

About 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide

5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide (PubChem CID 113336628) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
PubChem CID113336628
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
SMILESCC(CNC(=O)c1ccc(C#N)cn1)S(C)=O
InChIInChI=1S/C11H13N3O2S/c1-8(17(2)16)6-14-11(15)10-4-3-9(5-12)7-13-10/h3-4,7-8H,6H2,1-2H3,(H,14,15)
InChIKeyBPBJQWNZBHSSRN-UHFFFAOYSA-N
XLogP0.45
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 2575978
N-{2-[(phenylcarbonyl)amino]ethyl}pyridine-2-carboxamide
CID 2986667
N-(3-cyanophenyl)pyridine-2-carboxamide
CID 2445811
5-Cyanopyridine-2-carboxamide
CID 11275086
N-(2-Cyanophenyl)pyridine-2-carboxamide
CID 24700711
N-benzylpyridine-2-carboxamide
CID 687032
N-[(2S)-3-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-oxopropyl]-2-cyanopyridine-4-carboxamide
CID 162668234
N-(3-phenylpropyl)pyridine-2-carboxamide
CID 24764129
fusaric acid N,N-diethylaminoethylamide
CID 174120
N-tert-Butyl-3-methylpyridine-2-carboxamide
CID 5463796
N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 18582823
Picolinic acid t-butylamide
CID 10197939

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide (CID 113336628) is 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide is CC(CNC(=O)c1ccc(C#N)cn1)S(C)=O.
What is the InChIKey of 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
The InChIKey is BPBJQWNZBHSSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8(17(2)16)6-14-11(15)10-4-3-9(5-12)7-13-10/h3-4,7-8H,6H2,1-2H3,(H,14,15).
What are the key properties of 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide?
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 113336628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).