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

C14H23N3O3 — CID 65111972

IUPACN-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)(CC)CC)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-9-17-12(18)8-7-11(16-17)13(19)15-10-14(20,5-2)6-3/h7-8,20H,4-6,9-10H2,1-3H3,(H,15,19)
InChIKeyTUKNUOWUIGJYDH-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.93
Rot. Bonds7

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

N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 65111972) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID65111972
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)(CC)CC)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-9-17-12(18)8-7-11(16-17)13(19)15-10-14(20,5-2)6-3/h7-8,20H,4-6,9-10H2,1-3H3,(H,15,19)
InChIKeyTUKNUOWUIGJYDH-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 65111972) is N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(O)(CC)CC)ccc1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is TUKNUOWUIGJYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-9-17-12(18)8-7-11(16-17)13(19)15-10-14(20,5-2)6-3/h7-8,20H,4-6,9-10H2,1-3H3,(H,15,19).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 65111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).