N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide

C14H18N2O2 — CID 51074932

IUPACN-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC=CCC2)cn1
InChIInChI=1S/C14H18N2O2/c1-18-13-8-7-11(9-15-13)10-16-14(17)12-5-3-2-4-6-12/h2-3,7-9,12H,4-6,10H2,1H3,(H,16,17)
InChIKeyDLDOZCRRUMSTBS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 51074932) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
PubChem CID51074932
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC=CCC2)cn1
InChIInChI=1S/C14H18N2O2/c1-18-13-8-7-11(9-15-13)10-16-14(17)12-5-3-2-4-6-12/h2-3,7-9,12H,4-6,10H2,1H3,(H,16,17)
InChIKeyDLDOZCRRUMSTBS-UHFFFAOYSA-N
XLogP2.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
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 N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide (CID 51074932) is N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide is COc1ccc(CNC(=O)C2CC=CCC2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is DLDOZCRRUMSTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-8-7-11(9-15-13)10-16-14(17)12-5-3-2-4-6-12/h2-3,7-9,12H,4-6,10H2,1H3,(H,16,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 51074932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).