ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile

C16H26N2O — CID 145147990

IUPACethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCC.CC1=CCN(C(=O)C2CCC(C#N)CC2)CC1
InChIInChI=1S/C14H20N2O.C2H6/c1-11-6-8-16(9-7-11)14(17)13-4-2-12(10-15)3-5-13;1-2/h6,12-13H,2-5,7-9H2,1H3;1-2H3
InChIKeyFEWDAHHSFODGDG-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.52
Rot. Bonds1

About ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile

ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile (PubChem CID 145147990) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Nameethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
PubChem CID145147990
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Nameethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
SMILESCC.CC1=CCN(C(=O)C2CCC(C#N)CC2)CC1
InChIInChI=1S/C14H20N2O.C2H6/c1-11-6-8-16(9-7-11)14(17)13-4-2-12(10-15)3-5-13;1-2/h6,12-13H,2-5,7-9H2,1H3;1-2H3
InChIKeyFEWDAHHSFODGDG-UHFFFAOYSA-N
XLogP3.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexyl(3,6-dihydro-1(2H)-pyridinyl)methanone
CID 3047538
2-[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029957
2-[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029966
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 128104626
(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 169023692
1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclohexane-1-carbonitrile
CID 115772155
3,6-dihydro-2H-pyridin-1-yl-(4-methylidenecyclohexyl)methanone
CID 91000178
4-(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121450249
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexylmethanone
CID 121450286
cyclohexyl-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 121451665
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile
CID 121451666
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(4-methylcyclohexyl)methanone
CID 134370446

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The IUPAC name of ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile (CID 145147990) is ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The canonical SMILES for ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile is CC.CC1=CCN(C(=O)C2CCC(C#N)CC2)CC1.
What is the InChIKey of ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
The InChIKey is FEWDAHHSFODGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C2H6/c1-11-6-8-16(9-7-11)14(17)13-4-2-12(10-15)3-5-13;1-2/h6,12-13H,2-5,7-9H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile?
ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile has a molecular weight of 262.40 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 145147990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).