1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide

C16H18N4O3 — CID 2469397

IUPAC1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2N2CCOCC2)ccc1=O
InChIInChI=1S/C16H18N4O3/c1-19-15(21)7-6-13(18-19)16(22)17-12-4-2-3-5-14(12)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,17,22)
InChIKeyGEUZZKPWRRKWPD-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.87
Rot. Bonds3

About 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide

1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 2469397) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID2469397
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2N2CCOCC2)ccc1=O
InChIInChI=1S/C16H18N4O3/c1-19-15(21)7-6-13(18-19)16(22)17-12-4-2-3-5-14(12)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,17,22)
InChIKeyGEUZZKPWRRKWPD-UHFFFAOYSA-N
XLogP0.87
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide (CID 2469397) is 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2N2CCOCC2)ccc1=O.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is GEUZZKPWRRKWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19-15(21)7-6-13(18-19)16(22)17-12-4-2-3-5-14(12)20-8-10-23-11-9-20/h2-7H,8-11H2,1H3,(H,17,22).
What are the key properties of 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2469397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).