1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C26H37N3O3 — CID 46904269

IUPAC1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)C(CC(=O)NC2CCCCC2)C1
InChIInChI=1S/C26H37N3O3/c1-4-28(5-2)26(32)23-16-21(17-24(30)27-22-14-10-7-11-15-22)25(31)29(19(23)3)18-20-12-8-6-9-13-20/h6,8-9,12-13,21-22H,4-5,7,10-11,14-18H2,1-3H3,(H,27,30)
InChIKeyFSGLMVJKAMCCGL-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.02
Rot. Bonds8

About 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904269) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904269
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)C(CC(=O)NC2CCCCC2)C1
InChIInChI=1S/C26H37N3O3/c1-4-28(5-2)26(32)23-16-21(17-24(30)27-22-14-10-7-11-15-22)25(31)29(19(23)3)18-20-12-8-6-9-13-20/h6,8-9,12-13,21-22H,4-5,7,10-11,14-18H2,1-3H3,(H,27,30)
InChIKeyFSGLMVJKAMCCGL-UHFFFAOYSA-N
XLogP4.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide with MolForge

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Related Compounds

1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904279
1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359322
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904942
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 51359423
3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904914
2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
4-N-benzyl-1-N-cyclopentyl-4-N-ethylbenzene-1,4-dicarboxamide
CID 109044420
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclohexylacetamide;hydrochloride
CID 110283193
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
1-[(4-tert-butylphenyl)methyl]-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904916
1-benzyl-3-cyclohexyl-1-ethylthiourea
CID 5098448
3-[2-(cyclopropylamino)-2-oxoethyl]-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359350

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904269) is 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CCN(CC)C(=O)C1=C(C)N(Cc2ccccc2)C(=O)C(CC(=O)NC2CCCCC2)C1.
What is the InChIKey of 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is FSGLMVJKAMCCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-4-28(5-2)26(32)23-16-21(17-24(30)27-22-14-10-7-11-15-22)25(31)29(19(23)3)18-20-12-8-6-9-13-20/h6,8-9,12-13,21-22H,4-5,7,10-11,14-18H2,1-3H3,(H,27,30).
What are the key properties of 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).