6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide

C15H13N5O4 — CID 90538846

IUPAC6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc(=O)oc1
InChIInChI=1S/C15H13N5O4/c21-13-4-3-12(19-8-1-6-17-19)18-20(13)9-7-16-15(23)11-2-5-14(22)24-10-11/h1-6,8,10H,7,9H2,(H,16,23)
InChIKeyMBGLUTVXXMTPIK-UHFFFAOYSA-N
MW327.30 g/mol
LogP-0.19
Rot. Bonds5

About 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide

6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide (PubChem CID 90538846) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
PubChem CID90538846
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC Name6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide
SMILESO=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc(=O)oc1
InChIInChI=1S/C15H13N5O4/c21-13-4-3-12(19-8-1-6-17-19)18-20(13)9-7-16-15(23)11-2-5-14(22)24-10-11/h1-6,8,10H,7,9H2,(H,16,23)
InChIKeyMBGLUTVXXMTPIK-UHFFFAOYSA-N
XLogP-0.19
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-phenoxybenzamide
CID 90538856
3,4-dimethoxy-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538642
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-propan-2-yloxybenzamide
CID 90538814
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
4-(dimethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538681
4-(diethylsulfamoyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538679
2-bromo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]benzamide
CID 90538817
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 90538675
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 71790801
(E)-3-(4-fluorophenyl)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]prop-2-enamide
CID 90538706
2,4-dioxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3-phenyl-1H-pyrimidine-5-carboxamide
CID 90538867
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517413

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide (CID 90538846) is 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide is O=C(NCCn1nc(-n2cccn2)ccc1=O)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide?
The InChIKey is MBGLUTVXXMTPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c21-13-4-3-12(19-8-1-6-17-19)18-20(13)9-7-16-15(23)11-2-5-14(22)24-10-11/h1-6,8,10H,7,9H2,(H,16,23).
What are the key properties of 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide?
6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide has a molecular weight of 327.30 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]pyran-3-carboxamide is sourced from PubChem (CID 90538846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).