(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide

C17H24N2O2 — CID 94839941

IUPAC(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)[C@H]2CC=CCC2)c1C
InChIInChI=1S/C17H24N2O2/c1-12-10-18-15(13(2)16(12)21-4)11-19(3)17(20)14-8-6-5-7-9-14/h5-6,10,14H,7-9,11H2,1-4H3/t14-/m0/s1
InChIKeyHEWQLPQFYGYIIS-AWEZNQCLSA-N
MW288.39 g/mol
LogP3.02
Rot. Bonds4

About (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide

(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 94839941) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID94839941
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide
SMILESCOc1c(C)cnc(CN(C)C(=O)[C@H]2CC=CCC2)c1C
InChIInChI=1S/C17H24N2O2/c1-12-10-18-15(13(2)16(12)21-4)11-19(3)17(20)14-8-6-5-7-9-14/h5-6,10,14H,7-9,11H2,1-4H3/t14-/m0/s1
InChIKeyHEWQLPQFYGYIIS-AWEZNQCLSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide (CID 94839941) is (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide is COc1c(C)cnc(CN(C)C(=O)[C@H]2CC=CCC2)c1C.
What is the InChIKey of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is HEWQLPQFYGYIIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-10-18-15(13(2)16(12)21-4)11-19(3)17(20)14-8-6-5-7-9-14/h5-6,10,14H,7-9,11H2,1-4H3/t14-/m0/s1.
What are the key properties of (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide?
(1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 94839941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).