1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C19H18Cl2FN3O2 — CID 60531808

IUPAC1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C19H18Cl2FN3O2/c1-11-4-2-6-23-17(11)24-18(26)12-5-3-7-25(10-12)19(27)13-8-16(22)15(21)9-14(13)20/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,23,24,26)
InChIKeyPMURNIMVNILYDC-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.33
Rot. Bonds3

About 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 60531808) has the molecular formula C19H18Cl2FN3O2 and a molecular weight of 410.28 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID60531808
Molecular FormulaC19H18Cl2FN3O2
Molecular Weight410.28 g/mol
Exact Mass409.08
IUPAC Name1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccnc1NC(=O)C1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C19H18Cl2FN3O2/c1-11-4-2-6-23-17(11)24-18(26)12-5-3-7-25(10-12)19(27)13-8-16(22)15(21)9-14(13)20/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,23,24,26)
InChIKeyPMURNIMVNILYDC-UHFFFAOYSA-N
XLogP4.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896427
1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-[3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895665
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-[2-(2,5-dichlorophenyl)sulfanylpropanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896307
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896431
(3R)-1-(1H-indazole-7-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52503770
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
N-(3-methyl-2-pyridinyl)-1-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-3-carboxamide
CID 55895405

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 60531808) is 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccnc1NC(=O)C1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PMURNIMVNILYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN3O2/c1-11-4-2-6-23-17(11)24-18(26)12-5-3-7-25(10-12)19(27)13-8-16(22)15(21)9-14(13)20/h2,4,6,8-9,12H,3,5,7,10H2,1H3,(H,23,24,26).
What are the key properties of 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 410.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 60531808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).