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

C24H37N3O3 — CID 46904942

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C24H37N3O3/c1-17-21(24(30)26(2)3)15-19(16-22(28)25-20-11-7-8-12-20)23(29)27(17)14-13-18-9-5-4-6-10-18/h9,19-20H,4-8,10-16H2,1-3H3,(H,25,28)
InChIKeyMFYHHOMBVUKJFU-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.54
Rot. Bonds7

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

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904942) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904942
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C24H37N3O3/c1-17-21(24(30)26(2)3)15-19(16-22(28)25-20-11-7-8-12-20)23(29)27(17)14-13-18-9-5-4-6-10-18/h9,19-20H,4-8,10-16H2,1-3H3,(H,25,28)
InChIKeyMFYHHOMBVUKJFU-UHFFFAOYSA-N
XLogP3.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.54
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-(cyclopentylamino)-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-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904942) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-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-(cyclopentylamino)-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-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C)CC(CC(=O)NC2CCCC2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is MFYHHOMBVUKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-17-21(24(30)26(2)3)15-19(16-22(28)25-20-11-7-8-12-20)23(29)27(17)14-13-18-9-5-4-6-10-18/h9,19-20H,4-8,10-16H2,1-3H3,(H,25,28).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 3.54, 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-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).