N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide

C21H22BrN5O — CID 56525515

IUPACN-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C21H22BrN5O/c22-18-4-7-20(23-14-18)25-21(28)17-8-12-26(13-9-17)15-16-2-5-19(6-3-16)27-11-1-10-24-27/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,23,25,28)
InChIKeyXZFAOZGLSHLURP-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.88
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 56525515) has the molecular formula C21H22BrN5O and a molecular weight of 440.35 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID56525515
Molecular FormulaC21H22BrN5O
Molecular Weight440.35 g/mol
Exact Mass439.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C21H22BrN5O/c22-18-4-7-20(23-14-18)25-21(28)17-8-12-26(13-9-17)15-16-2-5-19(6-3-16)27-11-1-10-24-27/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,23,25,28)
InChIKeyXZFAOZGLSHLURP-UHFFFAOYSA-N
XLogP3.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 25477192
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261
N-(5-bromo-2-pyridinyl)-1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 55923201
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120847820
N-(5-bromo-2-pyridinyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195869
N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide
CID 56538994
5-bromo-N-(4-pyrazol-1-ylphenyl)pyridine-2-carboxamide
CID 62955085
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157
methyl 2-[[1-[(4-bromophenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 43919896
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 72932505

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide (CID 56525515) is N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(Cc2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is XZFAOZGLSHLURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5O/c22-18-4-7-20(23-14-18)25-21(28)17-8-12-26(13-9-17)15-16-2-5-19(6-3-16)27-11-1-10-24-27/h1-7,10-11,14,17H,8-9,12-13,15H2,(H,23,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 440.35 g/mol, XLogP of 3.88, 5 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-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56525515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).