1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide

C17H26N4O4 — CID 90607257

IUPAC1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CCN2CCOCC2)C2CCOCC2)ccc1=O
InChIInChI=1S/C17H26N4O4/c1-19-16(22)3-2-15(18-19)17(23)21(14-4-10-24-11-5-14)7-6-20-8-12-25-13-9-20/h2-3,14H,4-13H2,1H3
InChIKeyODWISTZOYYWHBE-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.27
Rot. Bonds5

About 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide

1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide (PubChem CID 90607257) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
PubChem CID90607257
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CCN2CCOCC2)C2CCOCC2)ccc1=O
InChIInChI=1S/C17H26N4O4/c1-19-16(22)3-2-15(18-19)17(23)21(14-4-10-24-11-5-14)7-6-20-8-12-25-13-9-20/h2-3,14H,4-13H2,1H3
InChIKeyODWISTZOYYWHBE-UHFFFAOYSA-N
XLogP-0.27
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide (CID 90607257) is 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)N(CCN2CCOCC2)C2CCOCC2)ccc1=O.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide?
The InChIKey is ODWISTZOYYWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-19-16(22)3-2-15(18-19)17(23)21(14-4-10-24-11-5-14)7-6-20-8-12-25-13-9-20/h2-3,14H,4-13H2,1H3.
What are the key properties of 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide?
1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90607257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).