N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C14H23N3O4 — CID 79377153

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C14H23N3O4/c1-5-16(10-14(2,3)20)13(19)11-6-7-12(18)17(15-11)8-9-21-4/h6-7,20H,5,8-10H2,1-4H3
InChIKeyKXILNJHBSYZBQX-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.12
Rot. Bonds7

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 79377153) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID79377153
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1ccc(=O)n(CCOC)n1
InChIInChI=1S/C14H23N3O4/c1-5-16(10-14(2,3)20)13(19)11-6-7-12(18)17(15-11)8-9-21-4/h6-7,20H,5,8-10H2,1-4H3
InChIKeyKXILNJHBSYZBQX-UHFFFAOYSA-N
XLogP0.12
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 79377153) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is CCN(CC(C)(C)O)C(=O)c1ccc(=O)n(CCOC)n1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is KXILNJHBSYZBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-5-16(10-14(2,3)20)13(19)11-6-7-12(18)17(15-11)8-9-21-4/h6-7,20H,5,8-10H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 79377153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).