N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide

C14H23N3O3 — CID 79388014

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)CC(C)(C)O)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-5-9-17-12(18)8-7-11(15-17)13(19)16(6-2)10-14(3,4)20/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyKNPJCJQMSWSENR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.89
Rot. Bonds6

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 79388014) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID79388014
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N(CC)CC(C)(C)O)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-5-9-17-12(18)8-7-11(15-17)13(19)16(6-2)10-14(3,4)20/h7-8,20H,5-6,9-10H2,1-4H3
InChIKeyKNPJCJQMSWSENR-UHFFFAOYSA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 79388014) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N(CC)CC(C)(C)O)ccc1=O.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is KNPJCJQMSWSENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-5-9-17-12(18)8-7-11(15-17)13(19)16(6-2)10-14(3,4)20/h7-8,20H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 79388014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).