1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H22BrN3O3 — CID 55931766

IUPAC1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)c3c(C)oc(C)c3Br)CC2)c1
InChIInChI=1S/C19H22BrN3O3/c1-11-4-7-21-15(10-11)22-18(24)14-5-8-23(9-6-14)19(25)16-12(2)26-13(3)17(16)20/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,21,22,24)
InChIKeyOCYSPZNCFRYIIQ-UHFFFAOYSA-N
MW420.31 g/mol
LogP3.85
Rot. Bonds3

About 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55931766) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55931766
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)c3c(C)oc(C)c3Br)CC2)c1
InChIInChI=1S/C19H22BrN3O3/c1-11-4-7-21-15(10-11)22-18(24)14-5-8-23(9-6-14)19(25)16-12(2)26-13(3)17(16)20/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,21,22,24)
InChIKeyOCYSPZNCFRYIIQ-UHFFFAOYSA-N
XLogP3.85
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-(3-phenylfuran-2-carbonyl)piperidine-4-carboxamide
CID 55812819
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931370
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815541
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
N-(4-methyl-2-pyridinyl)-1-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)piperidine-4-carboxamide
CID 55931891
N-(4-methyl-2-pyridinyl)-1-[4-(phenylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55813137
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813073
1-[3-(3-chloro-4-methylphenyl)prop-2-enoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55992545
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 41083455

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55931766) is 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)c3c(C)oc(C)c3Br)CC2)c1.
What is the InChIKey of 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OCYSPZNCFRYIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-11-4-7-21-15(10-11)22-18(24)14-5-8-23(9-6-14)19(25)16-12(2)26-13(3)17(16)20/h4,7,10,14H,5-6,8-9H2,1-3H3,(H,21,22,24).
What are the key properties of 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 420.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55931766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).