N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

C13H21N3O5 — CID 103799623

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC(CCO)COC)ccc1=O
InChIInChI=1S/C13H21N3O5/c1-20-8-6-16-12(18)4-3-11(15-16)13(19)14-10(5-7-17)9-21-2/h3-4,10,17H,5-9H2,1-2H3,(H,14,19)
InChIKeyCKGHJJXKJONGPC-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.98
Rot. Bonds9

About N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 103799623) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID103799623
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC(CCO)COC)ccc1=O
InChIInChI=1S/C13H21N3O5/c1-20-8-6-16-12(18)4-3-11(15-16)13(19)14-10(5-7-17)9-21-2/h3-4,10,17H,5-9H2,1-2H3,(H,14,19)
InChIKeyCKGHJJXKJONGPC-UHFFFAOYSA-N
XLogP-0.98
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 113264465
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 61247357
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
N-(5-hydroxypentyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 107318837
methyl 3-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]propanoate
CID 47120194
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
N-(2-ethyl-2-hydroxybutyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 65112591
N-(1-hydroxy-3-methylpentan-3-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103945933
2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]oxyacetic acid
CID 63930762
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 103799623) is N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NC(CCO)COC)ccc1=O.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CKGHJJXKJONGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-20-8-6-16-12(18)4-3-11(15-16)13(19)14-10(5-7-17)9-21-2/h3-4,10,17H,5-9H2,1-2H3,(H,14,19).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of -0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 103799623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).