3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane

C18H30N2O — CID 144736514

IUPAC3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)NCCc2ccccn2)C1.CCC
InChIInChI=1S/C15H22N2O.C3H8/c1-12-5-4-6-13(11-12)15(18)17-10-8-14-7-2-3-9-16-14;1-3-2/h2-3,7,9,12-13H,4-6,8,10-11H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyMQEJXIWKHUJTPW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.98
Rot. Bonds4

About 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane

3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane (PubChem CID 144736514) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
PubChem CID144736514
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)NCCc2ccccn2)C1.CCC
InChIInChI=1S/C15H22N2O.C3H8/c1-12-5-4-6-13(11-12)15(18)17-10-8-14-7-2-3-9-16-14;1-3-2/h2-3,7,9,12-13H,4-6,8,10-11H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyMQEJXIWKHUJTPW-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
3-(2-pyridin-2-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63044448
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
cis-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl] (1S,3R)-3-methylcyclohexane-1-carboxylate
CID 124863346
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 71980106
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane?
The IUPAC name of 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane (CID 144736514) is 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane.
What is the SMILES notation for 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane?
The canonical SMILES for 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane is CC1CCCC(C(=O)NCCc2ccccn2)C1.CCC.
What is the InChIKey of 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane?
The InChIKey is MQEJXIWKHUJTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C3H8/c1-12-5-4-6-13(11-12)15(18)17-10-8-14-7-2-3-9-16-14;1-3-2/h2-3,7,9,12-13H,4-6,8,10-11H2,1H3,(H,17,18);3H2,1-2H3.
What are the key properties of 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane?
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane has a molecular weight of 290.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane is sourced from PubChem (CID 144736514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).