3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide

C26H23Cl3N4O2 — CID 11998894

IUPAC3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
InChIInChI=1S/C26H23Cl3N4O2/c27-18-5-1-3-16(11-18)13-26(21-8-6-19(28)12-22(21)32-24(26)34)17-4-2-10-33(15-17)25(35)31-20-7-9-23(29)30-14-20/h1,3,5-9,11-12,14,17H,2,4,10,13,15H2,(H,31,35)(H,32,34)
InChIKeyWWINKBBIUAUKLF-UHFFFAOYSA-N
MW529.86 g/mol
LogP6.42
Rot. Bonds4

About 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide

3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 11998894) has the molecular formula C26H23Cl3N4O2 and a molecular weight of 529.86 g/mol. Its IUPAC name is 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
PubChem CID11998894
Molecular FormulaC26H23Cl3N4O2
Molecular Weight529.86 g/mol
Exact Mass528.09
IUPAC Name3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1
InChIInChI=1S/C26H23Cl3N4O2/c27-18-5-1-3-16(11-18)13-26(21-8-6-19(28)12-22(21)32-24(26)34)17-4-2-10-33(15-17)25(35)31-20-7-9-23(29)30-14-20/h1,3,5-9,11-12,14,17H,2,4,10,13,15H2,(H,31,35)(H,32,34)
InChIKeyWWINKBBIUAUKLF-UHFFFAOYSA-N
XLogP6.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.86
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methyl]-3-[1-(morpholine-4-carbonyl)piperidin-3-yl]-1H-indol-2-one
CID 11998151
6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one;N-propan-2-ylacetamide
CID 143373595
N-tert-butylacetamide;6-chloro-3-[(3-chlorophenyl)methyl]-3-cyclohexyl-1H-indol-2-one
CID 143373593
6-chloro-3-[(3-chlorophenyl)methyl]-3-(2-methylpyrrolidin-1-yl)-1H-indol-2-one
CID 24950916
[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-3-yl] N-cyclobutylcarbamate
CID 68567017
(4-acetylpiperazin-1-yl) N-[1-[(3S)-6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-2-yl]carbamate
CID 68564259
6-chloro-3-[(3-chlorophenyl)methyl]-3-(3-hydroxypyrrolidin-1-yl)-1H-indol-2-one
CID 24950918
(3S)-1-[4-bromo-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]benzoyl]piperidine-3-carboxamide
CID 174575285
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
2-[[1-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]piperidin-4-yl]amino]-N-cyclobutylacetamide
CID 68565549
tert-butyl 3-[[4-bromo-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]benzoyl]amino]piperidine-1-carboxylate
CID 66991692
6-chloro-3-(7-chloro-2,3,3a,7a-tetrahydroindol-1-yl)-3-[(3-chlorophenyl)methyl]-1H-indol-2-one
CID 70303789

Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide (CID 11998894) is 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)nc1)N1CCCC(C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)C1.
What is the InChIKey of 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is WWINKBBIUAUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl3N4O2/c27-18-5-1-3-16(11-18)13-26(21-8-6-19(28)12-22(21)32-24(26)34)17-4-2-10-33(15-17)25(35)31-20-7-9-23(29)30-14-20/h1,3,5-9,11-12,14,17H,2,4,10,13,15H2,(H,31,35)(H,32,34).
What are the key properties of 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide?
3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 529.86 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-N-(6-chloro-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 11998894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).