N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane

C17H25N3O — CID 168957463

IUPACN-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
SMILESCC.Cc1ccc(C(=O)NC2CCC(C#N)CC2)nc1C
InChIInChI=1S/C15H19N3O.C2H6/c1-10-3-8-14(17-11(10)2)15(19)18-13-6-4-12(9-16)5-7-13;1-2/h3,8,12-13H,4-7H2,1-2H3,(H,18,19);1-2H3
InChIKeyBOQZSCPBAKVQFA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.54
Rot. Bonds2

About N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane

N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane (PubChem CID 168957463) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
PubChem CID168957463
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
SMILESCC.Cc1ccc(C(=O)NC2CCC(C#N)CC2)nc1C
InChIInChI=1S/C15H19N3O.C2H6/c1-10-3-8-14(17-11(10)2)15(19)18-13-6-4-12(9-16)5-7-13;1-2/h3,8,12-13H,4-7H2,1-2H3,(H,18,19);1-2H3
InChIKeyBOQZSCPBAKVQFA-UHFFFAOYSA-N
XLogP3.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane?
The IUPAC name of N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane (CID 168957463) is N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane.
What is the SMILES notation for N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane?
The canonical SMILES for N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane is CC.Cc1ccc(C(=O)NC2CCC(C#N)CC2)nc1C.
What is the InChIKey of N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane?
The InChIKey is BOQZSCPBAKVQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.C2H6/c1-10-3-8-14(17-11(10)2)15(19)18-13-6-4-12(9-16)5-7-13;1-2/h3,8,12-13H,4-7H2,1-2H3,(H,18,19);1-2H3.
What are the key properties of N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane?
N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane has a molecular weight of 287.41 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane is sourced from PubChem (CID 168957463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).