N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide

C18H16Cl3N3O2 — CID 139295435

IUPACN-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H16Cl3N3O2/c19-12-4-5-15(22-10-12)23-17(25)18(26)24-8-6-11(7-9-24)13-2-1-3-14(20)16(13)21/h1-5,10-11H,6-9H2,(H,22,23,25)
InChIKeyNOBOQNBNCLXBQZ-UHFFFAOYSA-N
MW412.70 g/mol
LogP4.39
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide

N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 139295435) has the molecular formula C18H16Cl3N3O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide
PubChem CID139295435
Molecular FormulaC18H16Cl3N3O2
Molecular Weight412.70 g/mol
Exact Mass411.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H16Cl3N3O2/c19-12-4-5-15(22-10-12)23-17(25)18(26)24-8-6-11(7-9-24)13-2-1-3-14(20)16(13)21/h1-5,10-11H,6-9H2,(H,22,23,25)
InChIKeyNOBOQNBNCLXBQZ-UHFFFAOYSA-N
XLogP4.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.70
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
CID 9946897
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-sec-butyl-phenyl)-amide
CID 10126339
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-cyclohexyl-phenyl)-amide
CID 21037629
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-ethyl-phenyl)-amide
CID 21037634
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-propyl-phenyl)-amide
CID 21037645
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-butyl-phenyl)-amide
CID 21037673
N-(2,4-dichlorobenzyl)-4-(pyridin-2-yl)piperazine-1-carboxamide
CID 24160013
N-(5-chloropyridin-2-yl)-2-[4-[3-chloro-2-(trifluoromethyl)pyridin-4-yl]piperidin-1-yl]-2-oxoacetamide
CID 139295431
4-(5-chloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139532008
N-(5-chloropyridin-2-yl)-3,3-diphenylpropanamide
CID 878314
N-(benzylcarbamoyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 2999184

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide (CID 139295435) is N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is NOBOQNBNCLXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3N3O2/c19-12-4-5-15(22-10-12)23-17(25)18(26)24-8-6-11(7-9-24)13-2-1-3-14(20)16(13)21/h1-5,10-11H,6-9H2,(H,22,23,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide?
N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 412.70 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-(2,3-dichlorophenyl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139295435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).