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

C22H17N5O3 — CID 108803336

IUPAC2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccnc(=O)[nH]2)c1=O
InChIInChI=1S/C22H17N5O3/c1-27-21(29)18(20(28)24-16-12-13-23-22(30)25-16)17(14-8-4-2-5-9-14)19(26-27)15-10-6-3-7-11-15/h2-13H,1H3,(H2,23,24,25,28,30)
InChIKeyIGTVICVCPSHGQZ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.45
Rot. Bonds4

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

2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide (PubChem CID 108803336) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
PubChem CID108803336
Molecular FormulaC22H17N5O3
Molecular Weight399.41 g/mol
Exact Mass399.13
IUPAC Name2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccnc(=O)[nH]2)c1=O
InChIInChI=1S/C22H17N5O3/c1-27-21(29)18(20(28)24-16-12-13-23-22(30)25-16)17(14-8-4-2-5-9-14)19(26-27)15-10-6-3-7-11-15/h2-13H,1H3,(H2,23,24,25,28,30)
InChIKeyIGTVICVCPSHGQZ-UHFFFAOYSA-N
XLogP2.45
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide
CID 108803445
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
2-methyl-N-(5-methyl-2-pyridinyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803387
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108803371
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
N-cyclododecyl-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790626
N-(4-hydroxy-2-methylphenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790593
3-hydroxy-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]butanoic acid
CID 108790658
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
N-(2-chloro-4-nitrophenyl)-2-methyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790617
methyl 4-methyl-2-[(2-methyl-3-oxo-5,6-diphenylpyridazine-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16876725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
The IUPAC name of 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide (CID 108803336) is 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide.
What is the SMILES notation for 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
The canonical SMILES for 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide is Cn1nc(-c2ccccc2)c(-c2ccccc2)c(C(=O)Nc2ccnc(=O)[nH]2)c1=O.
What is the InChIKey of 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
The InChIKey is IGTVICVCPSHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-27-21(29)18(20(28)24-16-12-13-23-22(30)25-16)17(14-8-4-2-5-9-14)19(26-27)15-10-6-3-7-11-15/h2-13H,1H3,(H2,23,24,25,28,30).
What are the key properties of 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide?
2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-N-(2-oxo-1H-pyrimidin-6-yl)-5,6-diphenylpyridazine-4-carboxamide is sourced from PubChem (CID 108803336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).