N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide

C25H25N7O — CID 90514505

IUPACN-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(C1CCCN(c2ccc(-n3cccn3)nn2)C1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C25H25N7O/c33-25(31(22-11-4-5-14-26-22)18-20-8-2-1-3-9-20)21-10-6-16-30(19-21)23-12-13-24(29-28-23)32-17-7-15-27-32/h1-5,7-9,11-15,17,21H,6,10,16,18-19H2
InChIKeyIJLDFZOWEQRMID-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.51
Rot. Bonds6

About N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide

N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 90514505) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID90514505
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESO=C(C1CCCN(c2ccc(-n3cccn3)nn2)C1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C25H25N7O/c33-25(31(22-11-4-5-14-26-22)18-20-8-2-1-3-9-20)21-10-6-16-30(19-21)23-12-13-24(29-28-23)32-17-7-15-27-32/h1-5,7-9,11-15,17,21H,6,10,16,18-19H2
InChIKeyIJLDFZOWEQRMID-UHFFFAOYSA-N
XLogP3.51
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514486
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
N-benzyl-N-pyridin-2-yl-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 121071748
N-benzyl-1-(6-methoxypyridazin-3-yl)-N-methylpiperidine-3-carboxamide
CID 75490694
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
(3R)-N-(1H-benzimidazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907658
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
N-(furan-2-ylmethyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52992969
1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 52907567
N-benzyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601414

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide (CID 90514505) is N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide is O=C(C1CCCN(c2ccc(-n3cccn3)nn2)C1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is IJLDFZOWEQRMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c33-25(31(22-11-4-5-14-26-22)18-20-8-2-1-3-9-20)21-10-6-16-30(19-21)23-12-13-24(29-28-23)32-17-7-15-27-32/h1-5,7-9,11-15,17,21H,6,10,16,18-19H2.
What are the key properties of N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide?
N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 90514505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).