1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C25H39N3O3 — CID 46904934

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C25H39N3O3/c1-18-22(25(31)27(2)3)16-20(17-23(29)26-21-12-8-5-9-13-21)24(30)28(18)15-14-19-10-6-4-7-11-19/h10,20-21H,4-9,11-17H2,1-3H3,(H,26,29)
InChIKeySLVABULPKPOADH-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.93
Rot. Bonds7

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904934) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904934
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C25H39N3O3/c1-18-22(25(31)27(2)3)16-20(17-23(29)26-21-12-8-5-9-13-21)24(30)28(18)15-14-19-10-6-4-7-11-19/h10,20-21H,4-9,11-17H2,1-3H3,(H,26,29)
InChIKeySLVABULPKPOADH-UHFFFAOYSA-N
XLogP3.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904934) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCCC2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is SLVABULPKPOADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-18-22(25(31)27(2)3)16-20(17-23(29)26-21-12-8-5-9-13-21)24(30)28(18)15-14-19-10-6-4-7-11-19/h10,20-21H,4-9,11-17H2,1-3H3,(H,26,29).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 429.61 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).