2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide

C23H19N5O3 — CID 108803445

IUPAC2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccnc(=O)[nH]2)c1=O
InChIInChI=1S/C23H19N5O3/c1-2-28-22(30)19(21(29)25-17-13-14-24-23(31)26-17)18(15-9-5-3-6-10-15)20(27-28)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H2,24,25,26,29,31)
InChIKeyDKWLBMIZJXJIAE-UHFFFAOYSA-N
MW413.44 g/mol
LogP2.93
Rot. Bonds5

About 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide

2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108803445) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108803445
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
SMILESCCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccnc(=O)[nH]2)c1=O
InChIInChI=1S/C23H19N5O3/c1-2-28-22(30)19(21(29)25-17-13-14-24-23(31)26-17)18(15-9-5-3-6-10-15)20(27-28)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H2,24,25,26,29,31)
InChIKeyDKWLBMIZJXJIAE-UHFFFAOYSA-N
XLogP2.93
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide with MolForge

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Related Compounds

2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803336
N-(4-butoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790832
N-(2,3-dichlorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790725
2-ethyl-3-oxo-5,6-diphenyl-N-quinolin-8-ylpyridazine-4-carboxamide
CID 108790850
N-(2,3-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790783
2-ethyl-N-(3-methylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803513
N-(2-chloro-4,6-dimethylphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790852
2-ethyl-N-(3-methoxypropyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790743
N-(2,5-difluorophenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803435
2-ethyl-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108733162
4-[(2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108803452
2-ethyl-3-oxo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803455

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide (CID 108803445) is 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide is CCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccnc(=O)[nH]2)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is DKWLBMIZJXJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-2-28-22(30)19(21(29)25-17-13-14-24-23(31)26-17)18(15-9-5-3-6-10-15)20(27-28)16-11-7-4-8-12-16/h3-14H,2H2,1H3,(H2,24,25,26,29,31).
What are the key properties of 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108803445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).