N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide

C20H31N3O5 — CID 51359312

IUPACN-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)NC2CC2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C20H31N3O5/c1-14-17(20(26)22-7-10-28-11-8-22)12-15(13-18(24)21-16-4-5-16)19(25)23(14)6-3-9-27-2/h15-16H,3-13H2,1-2H3,(H,21,24)
InChIKeyZMXBRVQLRKRMAH-UHFFFAOYSA-N
MW393.48 g/mol
LogP0.67
Rot. Bonds8

About N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide

N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide (PubChem CID 51359312) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide
PubChem CID51359312
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC NameN-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)NC2CC2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C20H31N3O5/c1-14-17(20(26)22-7-10-28-11-8-22)12-15(13-18(24)21-16-4-5-16)19(25)23(14)6-3-9-27-2/h15-16H,3-13H2,1-2H3,(H,21,24)
InChIKeyZMXBRVQLRKRMAH-UHFFFAOYSA-N
XLogP0.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide (CID 51359312) is N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide is COCCCN1C(=O)C(CC(=O)NC2CC2)CC(C(=O)N2CCOCC2)=C1C.
What is the InChIKey of N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide?
The InChIKey is ZMXBRVQLRKRMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-14-17(20(26)22-7-10-28-11-8-22)12-15(13-18(24)21-16-4-5-16)19(25)23(14)6-3-9-27-2/h15-16H,3-13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide?
N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide has a molecular weight of 393.48 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]acetamide is sourced from PubChem (CID 51359312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).