5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide

C15H19N3O — CID 64741358

IUPAC5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C#N)cn2)CC1C
InChIInChI=1S/C15H19N3O/c1-10-3-5-13(7-11(10)2)18-15(19)14-6-4-12(8-16)9-17-14/h4,6,9-11,13H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyVGJXRDSGMDALMK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.51
Rot. Bonds2

About 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide

5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide (PubChem CID 64741358) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
PubChem CID64741358
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(C#N)cn2)CC1C
InChIInChI=1S/C15H19N3O/c1-10-3-5-13(7-11(10)2)18-15(19)14-6-4-12(8-16)9-17-14/h4,6,9-11,13H,3,5,7H2,1-2H3,(H,18,19)
InChIKeyVGJXRDSGMDALMK-UHFFFAOYSA-N
XLogP2.51
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 64743706
5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
5-cyano-N-(3-methoxycyclobutyl)pyridine-2-carboxamide
CID 104578357
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
CID 106443960
5-cyano-N-(2,2-diethyloxan-4-yl)pyridine-2-carboxamide
CID 82765330
5-(4-cyanoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183058
5-cyano-N-(3-methoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103742322
5-cyano-N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 97052488
N-[2-(bromomethyl)cyclopentyl]-5-cyanopyridine-2-carboxamide
CID 106366366
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
5-cyano-N-[(2-methylpropan-2-yl)oxy]pyridine-2-carboxamide
CID 103868637
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide (CID 64741358) is 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2ccc(C#N)cn2)CC1C.
What is the InChIKey of 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
The InChIKey is VGJXRDSGMDALMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-3-5-13(7-11(10)2)18-15(19)14-6-4-12(8-16)9-17-14/h4,6,9-11,13H,3,5,7H2,1-2H3,(H,18,19).
What are the key properties of 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide?
5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 64741358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).