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

C18H28N2O3 — CID 100776998

IUPAC1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ncc(NC(=O)C2(OCC)CCCCC2)cc1C
InChIInChI=1S/C18H28N2O3/c1-4-11-22-16-14(3)12-15(13-19-16)20-17(21)18(23-5-2)9-7-6-8-10-18/h12-13H,4-11H2,1-3H3,(H,20,21)
InChIKeyYZBXBMQOZUWADC-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.86
Rot. Bonds7

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

1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 100776998) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
PubChem CID100776998
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide
SMILESCCCOc1ncc(NC(=O)C2(OCC)CCCCC2)cc1C
InChIInChI=1S/C18H28N2O3/c1-4-11-22-16-14(3)12-15(13-19-16)20-17(21)18(23-5-2)9-7-6-8-10-18/h12-13H,4-11H2,1-3H3,(H,20,21)
InChIKeyYZBXBMQOZUWADC-UHFFFAOYSA-N
XLogP3.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxycycloheptane-1-carboxamide
CID 100777054
N-[6-(2-methoxyethoxy)-5-methyl-3-pyridinyl]-1-propoxycyclohexane-1-carboxamide
CID 100778344
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790
trans-(1R,3S)-N-(6-butoxy-5-methyl-3-pyridinyl)-1-ethoxy-3-methylcyclohexane-1-carboxamide
CID 100777234
1-(2-chlorophenyl)-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100770147
N-(5-methyl-6-propoxy-3-pyridinyl)-1-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 100770671
1-(4-chlorophenyl)-N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]cyclohexane-1-carboxamide
CID 100771359
N-(6-butoxy-5-methyl-3-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 100769199
N-(6-butoxy-5-methyl-3-pyridinyl)-1-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 100771758
N-(6-ethoxy-5-methyl-3-pyridinyl)-1-phenylcyclohexane-1-carboxamide
CID 100770531
N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-1-methoxy-4-methylcyclohexane-1-carboxamide
CID 100775701
N-(4-butoxyphenyl)-1-ethoxycyclohexane-1-carboxamide
CID 100730341

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide (CID 100776998) is 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is CCCOc1ncc(NC(=O)C2(OCC)CCCCC2)cc1C.
What is the InChIKey of 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
The InChIKey is YZBXBMQOZUWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-11-22-16-14(3)12-15(13-19-16)20-17(21)18(23-5-2)9-7-6-8-10-18/h12-13H,4-11H2,1-3H3,(H,20,21).
What are the key properties of 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide?
1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-(5-methyl-6-propoxy-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 100776998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).