2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide

C16H13N3O4 — CID 42226638

IUPAC2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1ncccc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H13N3O4/c20-14-6-3-7-18-19(14)9-8-17-15(21)12-10-11-4-1-2-5-13(11)23-16(12)22/h1-7,10H,8-9H2,(H,17,21)
InChIKeyGOPZRZPFOSTRRB-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.78
Rot. Bonds4

About 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide

2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide (PubChem CID 42226638) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide
PubChem CID42226638
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC Name2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide
SMILESO=C(NCCn1ncccc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H13N3O4/c20-14-6-3-7-18-19(14)9-8-17-15(21)12-10-11-4-1-2-5-13(11)23-16(12)22/h1-7,10H,8-9H2,(H,17,21)
InChIKeyGOPZRZPFOSTRRB-UHFFFAOYSA-N
XLogP0.78
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide (CID 42226638) is 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide is O=C(NCCn1ncccc1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide?
The InChIKey is GOPZRZPFOSTRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-14-6-3-7-18-19(14)9-8-17-15(21)12-10-11-4-1-2-5-13(11)23-16(12)22/h1-7,10H,8-9H2,(H,17,21).
What are the key properties of 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide?
2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(6-oxopyridazin-1-yl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 42226638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).