N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide

C15H24N4O3 — CID 47019985

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)CC(C)O1
InChIInChI=1S/C15H24N4O3/c1-10-7-19(8-11(2)22-10)15(3,4)9-16-14(21)12-5-6-13(20)18-17-12/h5-6,10-11H,7-9H2,1-4H3,(H,16,21)(H,18,20)
InChIKeyNDYDKAIAWRVPBY-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.39
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 47019985) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID47019985
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)CC(C)O1
InChIInChI=1S/C15H24N4O3/c1-10-7-19(8-11(2)22-10)15(3,4)9-16-14(21)12-5-6-13(20)18-17-12/h5-6,10-11H,7-9H2,1-4H3,(H,16,21)(H,18,20)
InChIKeyNDYDKAIAWRVPBY-UHFFFAOYSA-N
XLogP0.39
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 47019985) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide is CC1CN(C(C)(C)CNC(=O)c2ccc(=O)[nH]n2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is NDYDKAIAWRVPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-7-19(8-11(2)22-10)15(3,4)9-16-14(21)12-5-6-13(20)18-17-12/h5-6,10-11H,7-9H2,1-4H3,(H,16,21)(H,18,20).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 47019985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).