2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide

C21H21N3O2 — CID 108790559

IUPAC2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
SMILESCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C21H21N3O2/c1-3-14-22-20(25)18-17(15-10-6-4-7-11-15)19(23-24(2)21(18)26)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyBYMYBJDNUKVIMX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.25
Rot. Bonds5

About 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide

2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide (PubChem CID 108790559) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
PubChem CID108790559
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
SMILESCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C21H21N3O2/c1-3-14-22-20(25)18-17(15-10-6-4-7-11-15)19(23-24(2)21(18)26)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,22,25)
InChIKeyBYMYBJDNUKVIMX-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
CID 108790644
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790651
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide (CID 108790559) is 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide is CCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide?
The InChIKey is BYMYBJDNUKVIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-14-22-20(25)18-17(15-10-6-4-7-11-15)19(23-24(2)21(18)26)16-12-8-5-9-13-16/h4-13H,3,14H2,1-2H3,(H,22,25).
What are the key properties of 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide?
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide is sourced from PubChem (CID 108790559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).