N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

C23H27N3O4 — CID 126935960

About N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 126935960) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
• PubChem CID: 126935960
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
• SMILES: O=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)C1CCc2ccccc2O1
• InChI: InChI=1S/C23H27N3O4/c27-22-13-16-14-29-12-11-19(16)25-26(22)18-8-6-17(7-9-18)24-23(28)21-10-5-15-3-1-2-4-20(15)30-21/h1-4,13,17-18,21H,5-12,14H2,(H,24,28)
• InChIKey: UWTRSGACANRONO-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The IUPAC name of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 126935960) is N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide.

What is the SMILES notation for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The canonical SMILES for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)COCC3)CC1)C1CCc2ccccc2O1.

What is the InChIKey of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

The InChIKey is UWTRSGACANRONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-22-13-16-14-29-12-11-19(16)25-26(22)18-8-6-17(7-9-18)24-23(28)21-10-5-15-3-1-2-4-20(15)30-21/h1-4,13,17-18,21H,5-12,14H2,(H,24,28).

What are the key properties of N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide?

N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 126935960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).