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

C22H31N3O5S — CID 46903996

IUPAC2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C22H31N3O5S/c1-16-19(22(28)24-7-10-30-11-8-24)13-17(21(27)25(16)6-4-9-29-2)14-20(26)23-15-18-5-3-12-31-18/h3,5,12,17H,4,6-11,13-15H2,1-2H3,(H,23,26)
InChIKeyHQQYIPSCMKBGRA-UHFFFAOYSA-N
MW449.57 g/mol
LogP1.77
Rot. Bonds9

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

2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46903996) has the molecular formula C22H31N3O5S and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46903996
Molecular FormulaC22H31N3O5S
Molecular Weight449.57 g/mol
Exact Mass449.20
IUPAC Name2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C22H31N3O5S/c1-16-19(22(28)24-7-10-30-11-8-24)13-17(21(27)25(16)6-4-9-29-2)14-20(26)23-15-18-5-3-12-31-18/h3,5,12,17H,4,6-11,13-15H2,1-2H3,(H,23,26)
InChIKeyHQQYIPSCMKBGRA-UHFFFAOYSA-N
XLogP1.77
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 46903996) is 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is COCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C.
What is the InChIKey of 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HQQYIPSCMKBGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5S/c1-16-19(22(28)24-7-10-30-11-8-24)13-17(21(27)25(16)6-4-9-29-2)14-20(26)23-15-18-5-3-12-31-18/h3,5,12,17H,4,6-11,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 449.57 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropyl)-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46903996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).