N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C18H17N3O2 — CID 51111293

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc3c4c(cccc24)CC3)CCC1=O
InChIInChI=1S/C18H17N3O2/c1-21-16(22)10-9-15(20-21)18(23)19-14-8-7-12-6-5-11-3-2-4-13(14)17(11)12/h2-4,7-8H,5-6,9-10H2,1H3,(H,19,23)
InChIKeyXRVKFKZYOYTNQL-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.49
Rot. Bonds2

About N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 51111293) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID51111293
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)Nc2ccc3c4c(cccc24)CC3)CCC1=O
InChIInChI=1S/C18H17N3O2/c1-21-16(22)10-9-15(20-21)18(23)19-14-8-7-12-6-5-11-3-2-4-13(14)17(11)12/h2-4,7-8H,5-6,9-10H2,1H3,(H,19,23)
InChIKeyXRVKFKZYOYTNQL-UHFFFAOYSA-N
XLogP2.49
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 51111293) is N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)Nc2ccc3c4c(cccc24)CC3)CCC1=O.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XRVKFKZYOYTNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-16(22)10-9-15(20-21)18(23)19-14-8-7-12-6-5-11-3-2-4-13(14)17(11)12/h2-4,7-8H,5-6,9-10H2,1H3,(H,19,23).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 51111293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).