1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide

C14H23N3O3 — CID 115701512

IUPAC1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC(O)C(C)C)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-5-8-17-13(19)7-6-11(16-17)14(20)15-9-12(18)10(2)3/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H,15,20)
InChIKeyCPTHCMKXRORLDS-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.79
Rot. Bonds7

About 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide

1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide (PubChem CID 115701512) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
PubChem CID115701512
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NCC(O)C(C)C)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-5-8-17-13(19)7-6-11(16-17)14(20)15-9-12(18)10(2)3/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H,15,20)
InChIKeyCPTHCMKXRORLDS-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

(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
1-butyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyridazine-3-carboxamide
CID 111441768
1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
4-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832412
1-butyl-6-oxo-N-prop-2-ynylpyridazine-3-carboxamide
CID 30600615
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 103771085
1-butyl-N-(5-hydroxy-4-methylpentyl)-6-oxopyridazine-3-carboxamide
CID 103862339
1-butyl-N-(6-hydroxyhexyl)-6-oxopyridazine-3-carboxamide
CID 103919605
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
1-butyl-N-(3,3-diphenylpropyl)-6-oxopyridazine-3-carboxamide
CID 42162037
1-butyl-N-(2-methyl-1-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 51213919
1-butyl-N-(3-hydroxy-3-phenylpropyl)-6-oxopyridazine-3-carboxamide
CID 111471904

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide (CID 115701512) is 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NCC(O)C(C)C)ccc1=O.
What is the InChIKey of 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CPTHCMKXRORLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-5-8-17-13(19)7-6-11(16-17)14(20)15-9-12(18)10(2)3/h6-7,10,12,18H,4-5,8-9H2,1-3H3,(H,15,20).
What are the key properties of 1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide?
1-butyl-N-(2-hydroxy-3-methylbutyl)-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-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 115701512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).