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

C22H31N3O4S — CID 46903969

IUPAC2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C22H31N3O4S/c1-3-4-7-25-16(2)19(22(28)24-8-10-29-11-9-24)13-17(21(25)27)14-20(26)23-15-18-6-5-12-30-18/h5-6,12,17H,3-4,7-11,13-15H2,1-2H3,(H,23,26)
InChIKeyDUEYXPVFSICNEU-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.54
Rot. Bonds8

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

2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46903969) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46903969
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C
InChIInChI=1S/C22H31N3O4S/c1-3-4-7-25-16(2)19(22(28)24-8-10-29-11-9-24)13-17(21(25)27)14-20(26)23-15-18-6-5-12-30-18/h5-6,12,17H,3-4,7-11,13-15H2,1-2H3,(H,23,26)
InChIKeyDUEYXPVFSICNEU-UHFFFAOYSA-N
XLogP2.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 46903969) is 2-[1-butyl-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-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is CCCCN1C(=O)C(CC(=O)NCc2cccs2)CC(C(=O)N2CCOCC2)=C1C.
What is the InChIKey of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DUEYXPVFSICNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-3-4-7-25-16(2)19(22(28)24-8-10-29-11-9-24)13-17(21(25)27)14-20(26)23-15-18-6-5-12-30-18/h5-6,12,17H,3-4,7-11,13-15H2,1-2H3,(H,23,26).
What are the key properties of 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 433.57 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46903969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).