1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide

C16H18N4O3 — CID 2469379

IUPAC1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H18N4O3/c21-15-7-6-14(16(22)18-19-8-10-23-11-9-19)17-20(15)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,22)
InChIKeyOUMHBQNRXSYGFY-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.27
Rot. Bonds4

About 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide

1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide (PubChem CID 2469379) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
PubChem CID2469379
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide
SMILESO=C(NN1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C16H18N4O3/c21-15-7-6-14(16(22)18-19-8-10-23-11-9-19)17-20(15)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,22)
InChIKeyOUMHBQNRXSYGFY-UHFFFAOYSA-N
XLogP0.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide (CID 2469379) is 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide is O=C(NN1CCOCC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide?
The InChIKey is OUMHBQNRXSYGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15-7-6-14(16(22)18-19-8-10-23-11-9-19)17-20(15)12-13-4-2-1-3-5-13/h1-7H,8-12H2,(H,18,22).
What are the key properties of 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide?
1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-morpholin-4-yl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2469379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).