N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide

C21H23ClN4O3 — CID 71786306

IUPACN'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H23ClN4O3/c22-18-4-2-1-3-17(18)14-25-20(28)19(27)24-13-15-7-11-26(12-8-15)21(29)16-5-9-23-10-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,24,27)(H,25,28)
InChIKeyXZCANTQYNBMSDT-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.02
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide

N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (PubChem CID 71786306) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
PubChem CID71786306
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C21H23ClN4O3/c22-18-4-2-1-3-17(18)14-25-20(28)19(27)24-13-15-7-11-26(12-8-15)21(29)16-5-9-23-10-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,24,27)(H,25,28)
InChIKeyXZCANTQYNBMSDT-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide (CID 71786306) is N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NCC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is XZCANTQYNBMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c22-18-4-2-1-3-17(18)14-25-20(28)19(27)24-13-15-7-11-26(12-8-15)21(29)16-5-9-23-10-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,24,27)(H,25,28).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide?
N'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-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'-[(2-chlorophenyl)methyl]-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 71786306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).