2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide

C24H35N3O4 — CID 51359316

IUPAC2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C24H35N3O4/c1-17-21(24(30)26-11-13-31-14-12-26)15-19(16-22(28)25-20-7-8-20)23(29)27(17)10-9-18-5-3-2-4-6-18/h5,19-20H,2-4,6-16H2,1H3,(H,25,28)
InChIKeyDBGOXESYNGUYIK-UHFFFAOYSA-N
MW429.56 g/mol
LogP2.53
Rot. Bonds7

About 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide

2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide (PubChem CID 51359316) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide
PubChem CID51359316
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C24H35N3O4/c1-17-21(24(30)26-11-13-31-14-12-26)15-19(16-22(28)25-20-7-8-20)23(29)27(17)10-9-18-5-3-2-4-6-18/h5,19-20H,2-4,6-16H2,1H3,(H,25,28)
InChIKeyDBGOXESYNGUYIK-UHFFFAOYSA-N
XLogP2.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
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 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide (CID 51359316) is 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide is CC1=C(C(=O)N2CCOCC2)CC(CC(=O)NC2CC2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide?
The InChIKey is DBGOXESYNGUYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-17-21(24(30)26-11-13-31-14-12-26)15-19(16-22(28)25-20-7-8-20)23(29)27(17)10-9-18-5-3-2-4-6-18/h5,19-20H,2-4,6-16H2,1H3,(H,25,28).
What are the key properties of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide?
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide has a molecular weight of 429.56 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 51359316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).