N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide

C21H23ClN4O3 — CID 71786323

IUPACN'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H23ClN4O3/c22-18-5-3-15(4-6-18)12-24-19(27)20(28)25-13-16-7-10-26(11-8-16)21(29)17-2-1-9-23-14-17/h1-6,9,14,16H,7-8,10-13H2,(H,24,27)(H,25,28)
InChIKeyWASCMUJIJRPOFD-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.02
Rot. Bonds5

About N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 71786323) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID71786323
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C21H23ClN4O3/c22-18-5-3-15(4-6-18)12-24-19(27)20(28)25-13-16-7-10-26(11-8-16)21(29)17-2-1-9-23-14-17/h1-6,9,14,16H,7-8,10-13H2,(H,24,27)(H,25,28)
InChIKeyWASCMUJIJRPOFD-UHFFFAOYSA-N
XLogP2.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide 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-chlorophenyl)methyl]-3-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]butyl]urea
CID 166835094
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
N'-(2,5-difluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520998
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
N'-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520979
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide (CID 71786323) is N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is WASCMUJIJRPOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c22-18-5-3-15(4-6-18)12-24-19(27)20(28)25-13-16-7-10-26(11-8-16)21(29)17-2-1-9-23-14-17/h1-6,9,14,16H,7-8,10-13H2,(H,24,27)(H,25,28).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 414.89 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 71786323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).