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

C26H41N3O3 — CID 46904943

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C26H41N3O3/c1-19-23(26(32)28(2)3)16-22(17-24(30)27-18-21-12-8-5-9-13-21)25(31)29(19)15-14-20-10-6-4-7-11-20/h10,21-22H,4-9,11-18H2,1-3H3,(H,27,30)
InChIKeyWRGSDKKPIHXIQO-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.17
Rot. Bonds8

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

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904943) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904943
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C26H41N3O3/c1-19-23(26(32)28(2)3)16-22(17-24(30)27-18-21-12-8-5-9-13-21)25(31)29(19)15-14-20-10-6-4-7-11-20/h10,21-22H,4-9,11-18H2,1-3H3,(H,27,30)
InChIKeyWRGSDKKPIHXIQO-UHFFFAOYSA-N
XLogP4.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.17
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-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide with MolForge

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Related Compounds

CID 46902841
CID 46902841
CID 46904934
CID 46904934
CID 51359393
CID 51359393
CID 53299426
CID 53299426
CID 46903233
CID 46903233
CID 46904155
CID 46904155
CID 46904162
CID 46904162
CID 51359348
CID 51359348
CID 53299431
CID 53299431
CID 53299439
CID 53299439
CID 46902852
CID 46902852
CID 46904012
CID 46904012

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-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-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904943) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-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-(cyclohexylmethylamino)-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-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C)CC(CC(=O)NCC2CCCCC2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is WRGSDKKPIHXIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-19-23(26(32)28(2)3)16-22(17-24(30)27-18-21-12-8-5-9-13-21)25(31)29(19)15-14-20-10-6-4-7-11-20/h10,21-22H,4-9,11-18H2,1-3H3,(H,27,30).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 443.63 g/mol, XLogP of 4.17, 8 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-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).