2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide

C24H27N3O3 — CID 108790644

IUPAC2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C24H27N3O3/c1-17(2)30-16-10-15-25-23(28)21-20(18-11-6-4-7-12-18)22(26-27(3)24(21)29)19-13-8-5-9-14-19/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,25,28)
InChIKeyHGXKHUNAKWSJFB-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.66
Rot. Bonds8

About 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide

2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide (PubChem CID 108790644) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
PubChem CID108790644
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O
InChIInChI=1S/C24H27N3O3/c1-17(2)30-16-10-15-25-23(28)21-20(18-11-6-4-7-12-18)22(26-27(3)24(21)29)19-13-8-5-9-14-19/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,25,28)
InChIKeyHGXKHUNAKWSJFB-UHFFFAOYSA-N
XLogP3.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
ethyl 2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]acetate
CID 108803402
N-(4-acetamidophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790558
N-(2,6-difluorophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790637
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
2-ethyl-3-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5,6-diphenylpyridazine-4-carboxamide
CID 108790708
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide (CID 108790644) is 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide is CC(C)OCCCNC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(C)c1=O.
What is the InChIKey of 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide?
The InChIKey is HGXKHUNAKWSJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(2)30-16-10-15-25-23(28)21-20(18-11-6-4-7-12-18)22(26-27(3)24(21)29)19-13-8-5-9-14-19/h4-9,11-14,17H,10,15-16H2,1-3H3,(H,25,28).
What are the key properties of 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide?
2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-5,6-diphenyl-N-(3-propan-2-yloxypropyl)pyridazine-4-carboxamide is sourced from PubChem (CID 108790644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).