N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C19H20FN3O2 — CID 24620769

IUPACN-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C2CC2)C2CC2)nn1-c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-11-10-16(24)18(22-23(11)15-5-3-2-4-14(15)20)19(25)21-17(12-6-7-12)13-8-9-13/h2-5,10,12-13,17H,6-9H2,1H3,(H,21,25)
InChIKeyPOKYYHOQIJBQHQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.60
Rot. Bonds5

About N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 24620769) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID24620769
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC(C2CC2)C2CC2)nn1-c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-11-10-16(24)18(22-23(11)15-5-3-2-4-14(15)20)19(25)21-17(12-6-7-12)13-8-9-13/h2-5,10,12-13,17H,6-9H2,1H3,(H,21,25)
InChIKeyPOKYYHOQIJBQHQ-UHFFFAOYSA-N
XLogP2.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 24620769) is N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC(C2CC2)C2CC2)nn1-c1ccccc1F.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is POKYYHOQIJBQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-11-10-16(24)18(22-23(11)15-5-3-2-4-14(15)20)19(25)21-17(12-6-7-12)13-8-9-13/h2-5,10,12-13,17H,6-9H2,1H3,(H,21,25).
What are the key properties of N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 24620769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).