2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

C28H40N4O4 — CID 51359423

IUPAC2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC1=C(C(=O)N2CCCCCC2)CC(CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H40N4O4/c1-22-25(28(35)31-12-7-2-3-8-13-31)19-24(27(34)32(22)21-23-9-5-4-6-10-23)20-26(33)29-11-14-30-15-17-36-18-16-30/h4-6,9-10,24H,2-3,7-8,11-21H2,1H3,(H,29,33)
InChIKeyPQZWJGOGPDXXNV-UHFFFAOYSA-N
MW496.65 g/mol
LogP2.55
Rot. Bonds8

About 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 51359423) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID51359423
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC Name2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCC1=C(C(=O)N2CCCCCC2)CC(CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C28H40N4O4/c1-22-25(28(35)31-12-7-2-3-8-13-31)19-24(27(34)32(22)21-23-9-5-4-6-10-23)20-26(33)29-11-14-30-15-17-36-18-16-30/h4-6,9-10,24H,2-3,7-8,11-21H2,1H3,(H,29,33)
InChIKeyPQZWJGOGPDXXNV-UHFFFAOYSA-N
XLogP2.55
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 51359422
1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904917
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
CID 46904007
1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 46904160
N,N-diethyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
CID 46903239
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46295281
N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 97263755
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
3-[acetyl(2-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 113120745
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 51359423) is 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is CC1=C(C(=O)N2CCCCCC2)CC(CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is PQZWJGOGPDXXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-22-25(28(35)31-12-7-2-3-8-13-31)19-24(27(34)32(22)21-23-9-5-4-6-10-23)20-26(33)29-11-14-30-15-17-36-18-16-30/h4-6,9-10,24H,2-3,7-8,11-21H2,1H3,(H,29,33).
What are the key properties of 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 496.65 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 51359423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).