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

C22H22BrN5O2 — CID 55930749

IUPACN-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)nn1-c1ccccc1
InChIInChI=1S/C22H22BrN5O2/c1-15-12-19(26-28(15)18-7-3-2-4-8-18)22(30)27-11-5-6-16(14-27)21(29)25-20-10-9-17(23)13-24-20/h2-4,7-10,12-13,16H,5-6,11,14H2,1H3,(H,24,25,29)
InChIKeyUOJXDCFCRSQTAB-UHFFFAOYSA-N
MW468.36 g/mol
LogP3.83
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide (PubChem CID 55930749) has the molecular formula C22H22BrN5O2 and a molecular weight of 468.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide
PubChem CID55930749
Molecular FormulaC22H22BrN5O2
Molecular Weight468.36 g/mol
Exact Mass467.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)nn1-c1ccccc1
InChIInChI=1S/C22H22BrN5O2/c1-15-12-19(26-28(15)18-7-3-2-4-8-18)22(30)27-11-5-6-16(14-27)21(29)25-20-10-9-17(23)13-24-20/h2-4,7-10,12-13,16H,5-6,11,14H2,1H3,(H,24,25,29)
InChIKeyUOJXDCFCRSQTAB-UHFFFAOYSA-N
XLogP3.83
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1-phenylpyrazole-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809952
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
(3R)-N-(5-bromo-2-pyridinyl)-1-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxamide
CID 51960674
N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931134
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
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 120512556
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
N-(5-bromo-2-pyridinyl)-1-[1-methyl-4-(methylsulfamoyl)pyrrole-2-carbonyl]piperidine-3-carboxamide
CID 55815707
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide (CID 55930749) is N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(C(=O)Nc3ccc(Br)cn3)C2)nn1-c1ccccc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is UOJXDCFCRSQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN5O2/c1-15-12-19(26-28(15)18-7-3-2-4-8-18)22(30)27-11-5-6-16(14-27)21(29)25-20-10-9-17(23)13-24-20/h2-4,7-10,12-13,16H,5-6,11,14H2,1H3,(H,24,25,29).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 468.36 g/mol, XLogP of 3.83, 4 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-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55930749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).