N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide

C23H22N4O3 — CID 126940070

IUPACN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1COCC1n1nc(-c2cccnc2)ccc1=O)C1(c2ccccc2)CC1
InChIInChI=1S/C23H22N4O3/c28-21-9-8-18(16-5-4-12-24-13-16)26-27(21)20-15-30-14-19(20)25-22(29)23(10-11-23)17-6-2-1-3-7-17/h1-9,12-13,19-20H,10-11,14-15H2,(H,25,29)
InChIKeyZJQKAPCJOYDJAX-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.09
Rot. Bonds5

About N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 126940070) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID126940070
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(NC1COCC1n1nc(-c2cccnc2)ccc1=O)C1(c2ccccc2)CC1
InChIInChI=1S/C23H22N4O3/c28-21-9-8-18(16-5-4-12-24-13-16)26-27(21)20-15-30-14-19(20)25-22(29)23(10-11-23)17-6-2-1-3-7-17/h1-9,12-13,19-20H,10-11,14-15H2,(H,25,29)
InChIKeyZJQKAPCJOYDJAX-UHFFFAOYSA-N
XLogP2.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
CID 126940053
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940035
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]thiophene-2-carboxamide
CID 126940065
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
6-pyridin-3-yl-2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940172
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
2-[4-[(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940207
1-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-2-propan-2-ylimidazole-4-sulfonamide
CID 126940083
2-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940102
6-(dimethylamino)-N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyridazine-3-carboxamide
CID 126939877

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide (CID 126940070) is N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide is O=C(NC1COCC1n1nc(-c2cccnc2)ccc1=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is ZJQKAPCJOYDJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-21-9-8-18(16-5-4-12-24-13-16)26-27(21)20-15-30-14-19(20)25-22(29)23(10-11-23)17-6-2-1-3-7-17/h1-9,12-13,19-20H,10-11,14-15H2,(H,25,29).
What are the key properties of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide?
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 126940070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).