N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide

C20H21BrN6O — CID 56538994

IUPACN-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(Cn2nccc2-c2ccncc2)CC1
InChIInChI=1S/C20H21BrN6O/c21-17-1-2-19(23-13-17)25-20(28)16-6-11-26(12-7-16)14-27-18(5-10-24-27)15-3-8-22-9-4-15/h1-5,8-10,13,16H,6-7,11-12,14H2,(H,23,25,28)
InChIKeyWYVZKXIZGXIDJT-UHFFFAOYSA-N
MW441.33 g/mol
LogP3.41
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide (PubChem CID 56538994) has the molecular formula C20H21BrN6O and a molecular weight of 441.33 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide
PubChem CID56538994
Molecular FormulaC20H21BrN6O
Molecular Weight441.33 g/mol
Exact Mass440.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCN(Cn2nccc2-c2ccncc2)CC1
InChIInChI=1S/C20H21BrN6O/c21-17-1-2-19(23-13-17)25-20(28)16-6-11-26(12-7-16)14-27-18(5-10-24-27)15-3-8-22-9-4-15/h1-5,8-10,13,16H,6-7,11-12,14H2,(H,23,25,28)
InChIKeyWYVZKXIZGXIDJT-UHFFFAOYSA-N
XLogP3.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
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N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
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N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
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N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120847820
N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548387
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-(5-bromo-2-pyridinyl)-1-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816601
N-(5-bromo-2-pyridinyl)-1-(2-chloro-4,5-difluorobenzoyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide (CID 56538994) is N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(Cn2nccc2-c2ccncc2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WYVZKXIZGXIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN6O/c21-17-1-2-19(23-13-17)25-20(28)16-6-11-26(12-7-16)14-27-18(5-10-24-27)15-3-8-22-9-4-15/h1-5,8-10,13,16H,6-7,11-12,14H2,(H,23,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[(5-pyridin-4-ylpyrazol-1-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 56538994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).