N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide

C19H18Cl3N3O3 — CID 112821228

IUPACN-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)CC1
InChIInChI=1S/C19H18Cl3N3O3/c20-13-8-14(21)17(26)15(16(13)22)19(28)25-6-3-12(4-7-25)18(27)24-10-11-2-1-5-23-9-11/h1-2,5,8-9,12,26H,3-4,6-7,10H2,(H,24,27)
InChIKeyALLRWBPKFIOPGQ-UHFFFAOYSA-N
MW442.73 g/mol
LogP3.92
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide

N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide (PubChem CID 112821228) has the molecular formula C19H18Cl3N3O3 and a molecular weight of 442.73 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide
PubChem CID112821228
Molecular FormulaC19H18Cl3N3O3
Molecular Weight442.73 g/mol
Exact Mass441.04
IUPAC NameN-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)CC1
InChIInChI=1S/C19H18Cl3N3O3/c20-13-8-14(21)17(26)15(16(13)22)19(28)25-6-3-12(4-7-25)18(27)24-10-11-2-1-5-23-9-11/h1-2,5,8-9,12,26H,3-4,6-7,10H2,(H,24,27)
InChIKeyALLRWBPKFIOPGQ-UHFFFAOYSA-N
XLogP3.92
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.73
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 796244
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 60506834
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601176
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55930537

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide (CID 112821228) is N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide is O=C(NCc1cccnc1)C1CCN(C(=O)c2c(O)c(Cl)cc(Cl)c2Cl)CC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide?
The InChIKey is ALLRWBPKFIOPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl3N3O3/c20-13-8-14(21)17(26)15(16(13)22)19(28)25-6-3-12(4-7-25)18(27)24-10-11-2-1-5-23-9-11/h1-2,5,8-9,12,26H,3-4,6-7,10H2,(H,24,27).
What are the key properties of N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide?
N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide has a molecular weight of 442.73 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-1-(2,3,5-trichloro-6-hydroxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 112821228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).