N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane

C22H34N2O2 — CID 144575060

IUPACN-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane
SMILESCC.Cc1ccc(N(C(=O)C2CCCCC2)C(=O)C2CCCCC2)nc1
InChIInChI=1S/C20H28N2O2.C2H6/c1-15-12-13-18(21-14-15)22(19(23)16-8-4-2-5-9-16)20(24)17-10-6-3-7-11-17;1-2/h12-14,16-17H,2-11H2,1H3;1-2H3
InChIKeyPYBMCBXZDIKQIU-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.44
Rot. Bonds3

About N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane

N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane (PubChem CID 144575060) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane.

Molecular Properties

Compound NameN-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane
PubChem CID144575060
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane
SMILESCC.Cc1ccc(N(C(=O)C2CCCCC2)C(=O)C2CCCCC2)nc1
InChIInChI=1S/C20H28N2O2.C2H6/c1-15-12-13-18(21-14-15)22(19(23)16-8-4-2-5-9-16)20(24)17-10-6-3-7-11-17;1-2/h12-14,16-17H,2-11H2,1H3;1-2H3
InChIKeyPYBMCBXZDIKQIU-UHFFFAOYSA-N
XLogP5.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane?
The IUPAC name of N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane (CID 144575060) is N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane.
What is the SMILES notation for N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane?
The canonical SMILES for N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane is CC.Cc1ccc(N(C(=O)C2CCCCC2)C(=O)C2CCCCC2)nc1.
What is the InChIKey of N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane?
The InChIKey is PYBMCBXZDIKQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.C2H6/c1-15-12-13-18(21-14-15)22(19(23)16-8-4-2-5-9-16)20(24)17-10-6-3-7-11-17;1-2/h12-14,16-17H,2-11H2,1H3;1-2H3.
What are the key properties of N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane?
N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane has a molecular weight of 358.53 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexanecarbonyl)-N-(5-methyl-2-pyridinyl)cyclohexanecarboxamide;ethane is sourced from PubChem (CID 144575060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).