5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride

C25H33ClN2O3 — CID 159507544

IUPAC5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride
SMILESCCC(=O)c1cc(C(=O)CCCC2CCC(N)CC2)cn(Cc2ccccc2)c1=O.Cl
InChIInChI=1S/C25H32N2O3.ClH/c1-2-23(28)22-15-20(17-27(25(22)30)16-19-7-4-3-5-8-19)24(29)10-6-9-18-11-13-21(26)14-12-18;/h3-5,7-8,15,17-18,21H,2,6,9-14,16,26H2,1H3;1H
InChIKeyQGFUSMDOKQYGPD-UHFFFAOYSA-N
MW445.00 g/mol
LogP4.78
Rot. Bonds9

About 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride

5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride (PubChem CID 159507544) has the molecular formula C25H33ClN2O3 and a molecular weight of 445.00 g/mol. Its IUPAC name is 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride
PubChem CID159507544
Molecular FormulaC25H33ClN2O3
Molecular Weight445.00 g/mol
Exact Mass444.22
IUPAC Name5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride
SMILESCCC(=O)c1cc(C(=O)CCCC2CCC(N)CC2)cn(Cc2ccccc2)c1=O.Cl
InChIInChI=1S/C25H32N2O3.ClH/c1-2-23(28)22-15-20(17-27(25(22)30)16-19-7-4-3-5-8-19)24(29)10-6-9-18-11-13-21(26)14-12-18;/h3-5,7-8,15,17-18,21H,2,6,9-14,16,26H2,1H3;1H
InChIKeyQGFUSMDOKQYGPD-UHFFFAOYSA-N
XLogP4.78
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.00
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-5-[4-(4-methylmorpholin-2-yl)butanoyl]-3-propanoylpyridin-2-one
CID 158087137
1-benzyl-N-methyl-5-[4-(1-methylpiperidin-4-yl)butanoyl]-2-oxopyridine-3-carboxamide
CID 159534697
1-benzyl-N-methyl-2-oxo-5-[4-(oxolan-3-yl)butanoyl]pyridine-3-carboxamide
CID 157088108
5-[5-(1-acetylpiperidin-4-yl)pentanoyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 148828457
tert-butyl 2-[4-(1-benzyl-6-oxo-5-propanoyl-3-pyridinyl)-4-oxobutyl]morpholine-4-carboxylate
CID 146967144
1-benzyl-N-methyl-5-[3-(oxan-4-yl)propanoyl]-2-oxopyridine-3-carboxamide
CID 160654627
5-(4-cyclopropylbutanoyl)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 160649778
1-benzyl-2-oxo-5-N-[3-(1-propylpiperidin-4-yl)propyl]pyridine-3,5-dicarboxamide
CID 163805471
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
CID 158142498
1-benzyl-3-N-methyl-5-N-[3-(1-methylpiperidin-4-yl)propyl]-2-oxopyridine-3,5-dicarboxamide
CID 126721311
5-[1-[3-(1-acetylpiperidin-4-yl)propylamino]ethenyl]-1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 145279448
1-[(3-chlorophenyl)methyl]-5-(2-cyclopropylacetyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 158224841

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride?
The IUPAC name of 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride (CID 159507544) is 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride.
What is the SMILES notation for 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride?
The canonical SMILES for 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride is CCC(=O)c1cc(C(=O)CCCC2CCC(N)CC2)cn(Cc2ccccc2)c1=O.Cl.
What is the InChIKey of 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride?
The InChIKey is QGFUSMDOKQYGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3.ClH/c1-2-23(28)22-15-20(17-27(25(22)30)16-19-7-4-3-5-8-19)24(29)10-6-9-18-11-13-21(26)14-12-18;/h3-5,7-8,15,17-18,21H,2,6,9-14,16,26H2,1H3;1H.
What are the key properties of 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride?
5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride has a molecular weight of 445.00 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-aminocyclohexyl)butanoyl]-1-benzyl-3-propanoylpyridin-2-one;hydrochloride is sourced from PubChem (CID 159507544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).