1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide

C18H17N5O3 — CID 90515674

IUPAC1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)ccc1=O
InChIInChI=1S/C18H17N5O3/c1-22-16(24)8-7-14(21-22)18(26)19-9-10-23-12-20-15(11-17(23)25)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,26)
InChIKeyOMTBHVTZBLZOLM-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.43
Rot. Bonds5

About 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 90515674) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
PubChem CID90515674
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)ccc1=O
InChIInChI=1S/C18H17N5O3/c1-22-16(24)8-7-14(21-22)18(26)19-9-10-23-12-20-15(11-17(23)25)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,26)
InChIKeyOMTBHVTZBLZOLM-UHFFFAOYSA-N
XLogP0.43
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 90515938
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515515
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
5-(furan-2-yl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 90515676
2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenylbutanamide
CID 90515546
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515527

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide (CID 90515674) is 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCCn2cnc(-c3ccccc3)cc2=O)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is OMTBHVTZBLZOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-22-16(24)8-7-14(21-22)18(26)19-9-10-23-12-20-15(11-17(23)25)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,26).
What are the key properties of 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90515674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).