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

C22H21BrN4O3 — CID 55931134

IUPACN-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
SMILESCn1c(=O)cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)c2ccccc21
InChIInChI=1S/C22H21BrN4O3/c1-26-18-7-3-2-6-16(18)17(11-20(26)28)22(30)27-10-4-5-14(13-27)21(29)25-19-9-8-15(23)12-24-19/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3,(H,24,25,29)
InChIKeyVRVRSTAFBKNQDA-UHFFFAOYSA-N
MW469.34 g/mol
LogP3.19
Rot. Bonds3

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

N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide (PubChem CID 55931134) has the molecular formula C22H21BrN4O3 and a molecular weight of 469.34 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
PubChem CID55931134
Molecular FormulaC22H21BrN4O3
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
SMILESCn1c(=O)cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)c2ccccc21
InChIInChI=1S/C22H21BrN4O3/c1-26-18-7-3-2-6-16(18)17(11-20(26)28)22(30)27-10-4-5-14(13-27)21(29)25-19-9-8-15(23)12-24-19/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3,(H,24,25,29)
InChIKeyVRVRSTAFBKNQDA-UHFFFAOYSA-N
XLogP3.19
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 55930749
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55758260
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
CID 55815707
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
N-(5-methyl-2-pyridinyl)-1-(4-oxo-3H-phthalazine-1-carbonyl)piperidine-3-carboxamide
CID 154834464

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide (CID 55931134) is N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide is Cn1c(=O)cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)c2ccccc21.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is VRVRSTAFBKNQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4O3/c1-26-18-7-3-2-6-16(18)17(11-20(26)28)22(30)27-10-4-5-14(13-27)21(29)25-19-9-8-15(23)12-24-19/h2-3,6-9,11-12,14H,4-5,10,13H2,1H3,(H,24,25,29).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 469.34 g/mol, XLogP of 3.19, 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-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55931134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).