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

C15H19N3O — CID 64748832

IUPAC5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C15H19N3O/c1-2-11-4-3-5-13(8-11)18-15(19)14-7-6-12(9-16)10-17-14/h6-7,10-11,13H,2-5,8H2,1H3,(H,18,19)
InChIKeyULRMIFITEOILQC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds3

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

5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 64748832) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
PubChem CID64748832
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2ccc(C#N)cn2)C1
InChIInChI=1S/C15H19N3O/c1-2-11-4-3-5-13(8-11)18-15(19)14-7-6-12(9-16)10-17-14/h6-7,10-11,13H,2-5,8H2,1H3,(H,18,19)
InChIKeyULRMIFITEOILQC-UHFFFAOYSA-N
XLogP2.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64741358
5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
CID 107257826
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 104578357
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 82765330
N-[2-(bromomethyl)cyclopentyl]-5-cyanopyridine-2-carboxamide
CID 106366366
5-(3-aminoprop-1-ynyl)-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62954357
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
5-cyano-N-(cyclobutylmethyl)-N-ethylpyridine-2-carboxamide
CID 107398621
5-cyano-N-(3-ethylpentan-3-yl)pyridine-2-carboxamide
CID 65043816
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide (CID 64748832) is 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide is CCC1CCCC(NC(=O)c2ccc(C#N)cn2)C1.
What is the InChIKey of 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is ULRMIFITEOILQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-11-4-3-5-13(8-11)18-15(19)14-7-6-12(9-16)10-17-14/h6-7,10-11,13H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide?
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 64748832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).