5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide

C14H17N3O — CID 115115601

IUPAC5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCC1CCC1)C(=O)c1cncc(C#N)c1
InChIInChI=1S/C14H17N3O/c1-17(6-5-11-3-2-4-11)14(18)13-7-12(8-15)9-16-10-13/h7,9-11H,2-6H2,1H3
InChIKeyUYKSKPBEQJBRBH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.22
Rot. Bonds4

About 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide

5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide (PubChem CID 115115601) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide
PubChem CID115115601
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide
SMILESCN(CCC1CCC1)C(=O)c1cncc(C#N)c1
InChIInChI=1S/C14H17N3O/c1-17(6-5-11-3-2-4-11)14(18)13-7-12(8-15)9-16-10-13/h7,9-11H,2-6H2,1H3
InChIKeyUYKSKPBEQJBRBH-UHFFFAOYSA-N
XLogP2.22
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
5-cyanopyridine-3-carboxylic acid
CID 22174782
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674
N-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide (CID 115115601) is 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide is CN(CCC1CCC1)C(=O)c1cncc(C#N)c1.
What is the InChIKey of 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide?
The InChIKey is UYKSKPBEQJBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(6-5-11-3-2-4-11)14(18)13-7-12(8-15)9-16-10-13/h7,9-11H,2-6H2,1H3.
What are the key properties of 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide?
5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 115115601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).