N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide

C21H26N2O2 — CID 100770531

IUPACN-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
SMILESCCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C
InChIInChI=1S/C21H26N2O2/c1-3-25-19-16(2)14-18(15-22-19)23-20(24)21(12-8-5-9-13-21)17-10-6-4-7-11-17/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyXMAUTCJGVRBHEZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.63
Rot. Bonds5

About N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide

N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide (PubChem CID 100770531) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
PubChem CID100770531
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
SMILESCCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C
InChIInChI=1S/C21H26N2O2/c1-3-25-19-16(2)14-18(15-22-19)23-20(24)21(12-8-5-9-13-21)17-10-6-4-7-11-17/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyXMAUTCJGVRBHEZ-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 100769468
1-(4-chlorophenyl)-N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771355
N-(5-methyl-6-propoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770671
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
N-(4-butoxy-3,5-dimethylphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669904
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 100769324
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-phenylcyclohexane-1-carboxamide
CID 100669967
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553
1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100776998
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide (CID 100770531) is N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide is CCOc1ncc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C.
What is the InChIKey of N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide?
The InChIKey is XMAUTCJGVRBHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-25-19-16(2)14-18(15-22-19)23-20(24)21(12-8-5-9-13-21)17-10-6-4-7-11-17/h4,6-7,10-11,14-15H,3,5,8-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide?
N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 100770531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).