1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide

C19H14N4O2 — CID 121067000

IUPAC1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H14N4O2/c20-12-15-8-4-5-9-16(15)21-19(25)17-10-11-18(24)23(22-17)13-14-6-2-1-3-7-14/h1-11H,13H2,(H,21,25)
InChIKeyIAWUZVMARBNZBO-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.42
Rot. Bonds4

About 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 121067000) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID121067000
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H14N4O2/c20-12-15-8-4-5-9-16(15)21-19(25)17-10-11-18(24)23(22-17)13-14-6-2-1-3-7-14/h1-11H,13H2,(H,21,25)
InChIKeyIAWUZVMARBNZBO-UHFFFAOYSA-N
XLogP2.42
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide (CID 121067000) is 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is IAWUZVMARBNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-12-15-8-4-5-9-16(15)21-19(25)17-10-11-18(24)23(22-17)13-14-6-2-1-3-7-14/h1-11H,13H2,(H,21,25).
What are the key properties of 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-cyanophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 121067000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).