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

C18H15Cl2F3N4O2 — CID 139295431

IUPACN-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc(C(F)(F)F)c2Cl)CC1
InChIInChI=1S/C18H15Cl2F3N4O2/c19-11-1-2-13(25-9-11)26-16(28)17(29)27-7-4-10(5-8-27)12-3-6-24-15(14(12)20)18(21,22)23/h1-3,6,9-10H,4-5,7-8H2,(H,25,26,28)
InChIKeyUJDOVTBKENFSPN-UHFFFAOYSA-N
MW447.24 g/mol
LogP4.15
Rot. Bonds2

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

N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 139295431) has the molecular formula C18H15Cl2F3N4O2 and a molecular weight of 447.24 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID139295431
Molecular FormulaC18H15Cl2F3N4O2
Molecular Weight447.24 g/mol
Exact Mass446.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc(C(F)(F)F)c2Cl)CC1
InChIInChI=1S/C18H15Cl2F3N4O2/c19-11-1-2-13(25-9-11)26-16(28)17(29)27-7-4-10(5-8-27)12-3-6-24-15(14(12)20)18(21,22)23/h1-3,6,9-10H,4-5,7-8H2,(H,25,26,28)
InChIKeyUJDOVTBKENFSPN-UHFFFAOYSA-N
XLogP4.15
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
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-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide (CID 139295431) is N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide is O=C(Nc1ccc(Cl)cn1)C(=O)N1CCC(c2ccnc(C(F)(F)F)c2Cl)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is UJDOVTBKENFSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N4O2/c19-11-1-2-13(25-9-11)26-16(28)17(29)27-7-4-10(5-8-27)12-3-6-24-15(14(12)20)18(21,22)23/h1-3,6,9-10H,4-5,7-8H2,(H,25,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide?
N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 447.24 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[4-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 139295431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).