N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

C25H20N4O2 — CID 121101290

IUPACN-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C25H20N4O2/c1-16(29-24(30)9-8-23(28-29)17-10-12-26-13-11-17)25(31)27-20-6-7-22-19(15-20)14-18-4-2-3-5-21(18)22/h2-13,15-16H,14H2,1H3,(H,27,31)
InChIKeyXMZIMLPNZCEADQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.08
Rot. Bonds4

About N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (PubChem CID 121101290) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
PubChem CID121101290
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C25H20N4O2/c1-16(29-24(30)9-8-23(28-29)17-10-12-26-13-11-17)25(31)27-20-6-7-22-19(15-20)14-18-4-2-3-5-21(18)22/h2-13,15-16H,14H2,1H3,(H,27,31)
InChIKeyXMZIMLPNZCEADQ-UHFFFAOYSA-N
XLogP4.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (CID 121101290) is N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc2c(c1)Cc1ccccc1-2)n1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The InChIKey is XMZIMLPNZCEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-16(29-24(30)9-8-23(28-29)17-10-12-26-13-11-17)25(31)27-20-6-7-22-19(15-20)14-18-4-2-3-5-21(18)22/h2-13,15-16H,14H2,1H3,(H,27,31).
What are the key properties of N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide has a molecular weight of 408.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).