1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide

C14H23N3O3 — CID 111115815

IUPAC1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(=O)n(CC)n1
InChIInChI=1S/C14H23N3O3/c1-4-10(5-2)12(18)9-15-14(20)11-7-8-13(19)17(6-3)16-11/h7-8,10,12,18H,4-6,9H2,1-3H3,(H,15,20)
InChIKeyBVTOHJHQHVFXAD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.79
Rot. Bonds7

About 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide

1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide (PubChem CID 111115815) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
PubChem CID111115815
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1ccc(=O)n(CC)n1
InChIInChI=1S/C14H23N3O3/c1-4-10(5-2)12(18)9-15-14(20)11-7-8-13(19)17(6-3)16-11/h7-8,10,12,18H,4-6,9H2,1-3H3,(H,15,20)
InChIKeyBVTOHJHQHVFXAD-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 111426076
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
N-(3-ethyl-2-hydroxypentyl)-1-methylimidazole-4-carboxamide
CID 103803885
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-(3-ethyl-2-hydroxypentyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 111115756
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
(2R)-2-[[(1-ethyl-6-oxopyridazine-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 97234505
N-(2,3-dihydroxypropyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 66176866
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide (CID 111115815) is 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide is CCC(CC)C(O)CNC(=O)c1ccc(=O)n(CC)n1.
What is the InChIKey of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is BVTOHJHQHVFXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-10(5-2)12(18)9-15-14(20)11-7-8-13(19)17(6-3)16-11/h7-8,10,12,18H,4-6,9H2,1-3H3,(H,15,20).
What are the key properties of 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide?
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111115815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).