N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide

C26H26ClN3O3 — CID 24550444

IUPACN-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C26H26ClN3O3/c27-23-9-5-4-8-21(23)17-30-18-22(10-11-24(30)31)26(33)29-14-12-20(13-15-29)25(32)28-16-19-6-2-1-3-7-19/h1-11,18,20H,12-17H2,(H,28,32)
InChIKeyMSDLNAUBMPTCFR-UHFFFAOYSA-N
MW463.97 g/mol
LogP3.72
Rot. Bonds6

About N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide

N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 24550444) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
PubChem CID24550444
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC NameN-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1
InChIInChI=1S/C26H26ClN3O3/c27-23-9-5-4-8-21(23)17-30-18-22(10-11-24(30)31)26(33)29-14-12-20(13-15-29)25(32)28-16-19-6-2-1-3-7-19/h1-11,18,20H,12-17H2,(H,28,32)
InChIKeyMSDLNAUBMPTCFR-UHFFFAOYSA-N
XLogP3.72
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide 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-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528245
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
(3S,4S)-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953492
5-[2-(aminomethyl)piperidine-1-carbonyl]-1-[(2-chlorophenyl)methyl]pyridin-2-one
CID 119469651
1-[(2-chlorophenyl)methyl]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-6-oxopyridine-3-carboxamide
CID 112842807
1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
1-[(2-chlorophenyl)methyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021309

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide (CID 24550444) is N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3Cl)c2)CC1.
What is the InChIKey of N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is MSDLNAUBMPTCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-23-9-5-4-8-21(23)17-30-18-22(10-11-24(30)31)26(33)29-14-12-20(13-15-29)25(32)28-16-19-6-2-1-3-7-19/h1-11,18,20H,12-17H2,(H,28,32).
What are the key properties of N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 24550444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).