N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide

C19H21ClN4O2 — CID 108520507

IUPACN-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
SMILESO=C(Nc1cccnc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN4O2/c20-17-16(7-4-10-21-17)23-19(26)18(25)22-15-8-11-24(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,22,25)(H,23,26)
InChIKeyVZWUTLIVFNNMFU-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.45
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide

N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide (PubChem CID 108520507) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
PubChem CID108520507
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide
SMILESO=C(Nc1cccnc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN4O2/c20-17-16(7-4-10-21-17)23-19(26)18(25)22-15-8-11-24(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,22,25)(H,23,26)
InChIKeyVZWUTLIVFNNMFU-UHFFFAOYSA-N
XLogP2.45
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)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

N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767
N-(1-benzylpiperidin-4-yl)-N'-(2-bromo-4-methylphenyl)oxamide
CID 108532604
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-4,6-dimethylphenyl)oxamide
CID 108532245
N'-(2-chloro-3-pyridinyl)-N-(2-phenylethyl)oxamide
CID 44999763
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
N-(2-chloro-3-pyridinyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 34932524
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide (CID 108520507) is N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide is O=C(Nc1cccnc1Cl)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide?
The InChIKey is VZWUTLIVFNNMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-17-16(7-4-10-21-17)23-19(26)18(25)22-15-8-11-24(12-9-15)13-14-5-2-1-3-6-14/h1-7,10,15H,8-9,11-13H2,(H,22,25)(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide?
N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide has a molecular weight of 372.86 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N'-(2-chloro-3-pyridinyl)oxamide is sourced from PubChem (CID 108520507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).