N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide

C16H22N2O3 — CID 53370663

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)NCCC2=CCCCC2)cc1=O
InChIInChI=1S/C16H22N2O3/c1-18-11-15(21-2)14(19)10-13(18)16(20)17-9-8-12-6-4-3-5-7-12/h6,10-11H,3-5,7-9H2,1-2H3,(H,17,20)
InChIKeyRUHGGYRYGSVLRT-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide (PubChem CID 53370663) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
PubChem CID53370663
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)NCCC2=CCCCC2)cc1=O
InChIInChI=1S/C16H22N2O3/c1-18-11-15(21-2)14(19)10-13(18)16(20)17-9-8-12-6-4-3-5-7-12/h6,10-11H,3-5,7-9H2,1-2H3,(H,17,20)
InChIKeyRUHGGYRYGSVLRT-UHFFFAOYSA-N
XLogP2.01
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide (CID 53370663) is N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide is COc1cn(C)c(C(=O)NCCC2=CCCCC2)cc1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is RUHGGYRYGSVLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18-11-15(21-2)14(19)10-13(18)16(20)17-9-8-12-6-4-3-5-7-12/h6,10-11H,3-5,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 53370663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).