N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide

C18H26N4O3 — CID 53161356

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNC(=O)Nc1ccc(C)n(CC(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C18H26N4O3/c1-13-8-9-15(21-18(25)19-2)17(24)22(13)12-16(23)20-11-10-14-6-4-3-5-7-14/h6,8-9H,3-5,7,10-12H2,1-2H3,(H,20,23)(H2,19,21,25)
InChIKeyXOABUJMMOXMRJG-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide (PubChem CID 53161356) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
PubChem CID53161356
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide
SMILESCNC(=O)Nc1ccc(C)n(CC(=O)NCCC2=CCCCC2)c1=O
InChIInChI=1S/C18H26N4O3/c1-13-8-9-15(21-18(25)19-2)17(24)22(13)12-16(23)20-11-10-14-6-4-3-5-7-14/h6,8-9H,3-5,7,10-12H2,1-2H3,(H,20,23)(H2,19,21,25)
InChIKeyXOABUJMMOXMRJG-UHFFFAOYSA-N
XLogP1.91
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
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]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide (CID 53161356) is N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide is CNC(=O)Nc1ccc(C)n(CC(=O)NCCC2=CCCCC2)c1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
The InChIKey is XOABUJMMOXMRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-8-9-15(21-18(25)19-2)17(24)22(13)12-16(23)20-11-10-14-6-4-3-5-7-14/h6,8-9H,3-5,7,10-12H2,1-2H3,(H,20,23)(H2,19,21,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[6-methyl-3-(methylcarbamoylamino)-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53161356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).