N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C20H22N6O — CID 90514486

IUPACN-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1
InChIInChI=1S/C20H22N6O/c1-24(17-8-3-2-4-9-17)20(27)16-7-5-13-25(15-16)18-10-11-19(23-22-18)26-14-6-12-21-26/h2-4,6,8-12,14,16H,5,7,13,15H2,1H3
InChIKeyCVNUUBSHVLQDMQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90514486) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90514486
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1
InChIInChI=1S/C20H22N6O/c1-24(17-8-3-2-4-9-17)20(27)16-7-5-13-25(15-16)18-10-11-19(23-22-18)26-14-6-12-21-26/h2-4,6,8-12,14,16H,5,7,13,15H2,1H3
InChIKeyCVNUUBSHVLQDMQ-UHFFFAOYSA-N
XLogP2.54
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-phenyl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070904
N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 90514505
(3R)-N-cyclopropyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907655
N-(2-methylsulfanylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514489
(3R)-N-(1H-benzimidazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907658
(3R)-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 52907602
N-(3-methyl-2-pyridinyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514416
N-methyl-1-(6-methylpyridazin-3-yl)-N-phenylpiperidine-4-carboxamide
CID 121118902
N-(3-acetylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514404
N-(3,4-dimethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514398
N-(4-ethoxyphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514429
N-(4-morpholin-4-ylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514499

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 90514486) is N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is CN(C(=O)C1CCCN(c2ccc(-n3cccn3)nn2)C1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is CVNUUBSHVLQDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24(17-8-3-2-4-9-17)20(27)16-7-5-13-25(15-16)18-10-11-19(23-22-18)26-14-6-12-21-26/h2-4,6,8-12,14,16H,5,7,13,15H2,1H3.
What are the key properties of N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).