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

C28H45N3O3 — CID 46902841

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C(CC(=O)NCC2CCCCC2)C1
InChIInChI=1S/C28H45N3O3/c1-4-30(5-2)28(34)25-18-24(19-26(32)29-20-23-14-10-7-11-15-23)27(33)31(21(25)3)17-16-22-12-8-6-9-13-22/h12,23-24H,4-11,13-20H2,1-3H3,(H,29,32)
InChIKeyBGUBCOMKHLKXRW-UHFFFAOYSA-N
MW471.69 g/mol
LogP4.95
Rot. Bonds10

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

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46902841) has the molecular formula C28H45N3O3 and a molecular weight of 471.69 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46902841
Molecular FormulaC28H45N3O3
Molecular Weight471.69 g/mol
Exact Mass471.35
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C(CC(=O)NCC2CCCCC2)C1
InChIInChI=1S/C28H45N3O3/c1-4-30(5-2)28(34)25-18-24(19-26(32)29-20-23-14-10-7-11-15-23)27(33)31(21(25)3)17-16-22-12-8-6-9-13-22/h12,23-24H,4-11,13-20H2,1-3H3,(H,29,32)
InChIKeyBGUBCOMKHLKXRW-UHFFFAOYSA-N
XLogP4.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.69
LogP ≤ 54.95
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 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46902841) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-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-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C(CC(=O)NCC2CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is BGUBCOMKHLKXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N3O3/c1-4-30(5-2)28(34)25-18-24(19-26(32)29-20-23-14-10-7-11-15-23)27(33)31(21(25)3)17-16-22-12-8-6-9-13-22/h12,23-24H,4-11,13-20H2,1-3H3,(H,29,32).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 471.69 g/mol, XLogP of 4.95, 10 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-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46902841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).