N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide

C22H20N6O2 — CID 90517601

IUPACN-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide
SMILESCC(C(=O)N(Cc1ccccc1)c1ccccn1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C22H20N6O2/c1-17(28-21(29)12-11-20(25-28)27-15-7-14-24-27)22(30)26(19-10-5-6-13-23-19)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3
InChIKeyJIKCXAGPLOVJJO-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.62
Rot. Bonds6

About N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide

N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide (PubChem CID 90517601) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide
PubChem CID90517601
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide
SMILESCC(C(=O)N(Cc1ccccc1)c1ccccn1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C22H20N6O2/c1-17(28-21(29)12-11-20(25-28)27-15-7-14-24-27)22(30)26(19-10-5-6-13-23-19)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3
InChIKeyJIKCXAGPLOVJJO-UHFFFAOYSA-N
XLogP2.62
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-phenylpropanamide
CID 90517558
N-benzyl-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-pyridin-2-ylpropanamide
CID 122280057
2-[1-oxo-1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517585
2-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517552
N-benzyl-1-(6-pyrazol-1-ylpyridazin-3-yl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 90514505
N-benzyl-2-(6-oxopyrimidin-1-yl)-N-pyridin-2-ylacetamide
CID 121064221
N,N-dibenzyl-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101195
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503
N-benzyl-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051656
N-benzyl-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-pyridin-2-ylacetamide
CID 121051943
N,N-dibenzyl-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100938
N-benzyl-2-(3,4-dimethylphenoxy)-N-pyridin-2-ylpropanamide
CID 18830895

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide (CID 90517601) is N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide is CC(C(=O)N(Cc1ccccc1)c1ccccn1)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is JIKCXAGPLOVJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-17(28-21(29)12-11-20(25-28)27-15-7-14-24-27)22(30)26(19-10-5-6-13-23-19)16-18-8-3-2-4-9-18/h2-15,17H,16H2,1H3.
What are the key properties of N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide?
N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 400.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 90517601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).