4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide

C14H20N2O3 — CID 144998145

IUPAC4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCOC1(OC)CCC(C(N)=O)(c2ccccn2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-14(19-2)8-6-13(7-9-14,12(15)17)11-5-3-4-10-16-11/h3-5,10H,6-9H2,1-2H3,(H2,15,17)
InChIKeyJYJBCSBMWKDFKX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.37
Rot. Bonds4

About 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide

4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 144998145) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID144998145
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide
SMILESCOC1(OC)CCC(C(N)=O)(c2ccccn2)CC1
InChIInChI=1S/C14H20N2O3/c1-18-14(19-2)8-6-13(7-9-14,12(15)17)11-5-3-4-10-16-11/h3-5,10H,6-9H2,1-2H3,(H2,15,17)
InChIKeyJYJBCSBMWKDFKX-UHFFFAOYSA-N
XLogP1.37
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide (CID 144998145) is 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide is COC1(OC)CCC(C(N)=O)(c2ccccn2)CC1.
What is the InChIKey of 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is JYJBCSBMWKDFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(19-2)8-6-13(7-9-14,12(15)17)11-5-3-4-10-16-11/h3-5,10H,6-9H2,1-2H3,(H2,15,17).
What are the key properties of 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide?
4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-1-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 144998145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).