N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide

C21H18BrN5O — CID 133319063

IUPACN-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
SMILESN#Cc1cnc2ccccc2c1N1CCCC(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C21H18BrN5O/c22-16-7-8-19(25-12-16)26-21(28)14-4-3-9-27(13-14)20-15(10-23)11-24-18-6-2-1-5-17(18)20/h1-2,5-8,11-12,14H,3-4,9,13H2,(H,25,26,28)
InChIKeyUEWJWBLXBHRAQP-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.12
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide (PubChem CID 133319063) has the molecular formula C21H18BrN5O and a molecular weight of 436.31 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
PubChem CID133319063
Molecular FormulaC21H18BrN5O
Molecular Weight436.31 g/mol
Exact Mass435.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
SMILESN#Cc1cnc2ccccc2c1N1CCCC(C(=O)Nc2ccc(Br)cn2)C1
InChIInChI=1S/C21H18BrN5O/c22-16-7-8-19(25-12-16)26-21(28)14-4-3-9-27(13-14)20-15(10-23)11-24-18-6-2-1-5-17(18)20/h1-2,5-8,11-12,14H,3-4,9,13H2,(H,25,26,28)
InChIKeyUEWJWBLXBHRAQP-UHFFFAOYSA-N
XLogP4.12
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
N-(5-bromo-2-pyridinyl)-1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 133270039
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 61205193
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 60523102
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide (CID 133319063) is N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide is N#Cc1cnc2ccccc2c1N1CCCC(C(=O)Nc2ccc(Br)cn2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide?
The InChIKey is UEWJWBLXBHRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O/c22-16-7-8-19(25-12-16)26-21(28)14-4-3-9-27(13-14)20-15(10-23)11-24-18-6-2-1-5-17(18)20/h1-2,5-8,11-12,14H,3-4,9,13H2,(H,25,26,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide has a molecular weight of 436.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133319063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).