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

C14H23N3O4 — CID 61247357

IUPACN-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC(CO)CC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O4/c1-10(2)8-11(9-18)15-14(20)12-4-5-13(19)17(16-12)6-7-21-3/h4-5,10-11,18H,6-9H2,1-3H3,(H,15,20)
InChIKeyUEJLBRFWGPDMNE-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.03
Rot. Bonds8

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

N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 61247357) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID61247357
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NC(CO)CC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O4/c1-10(2)8-11(9-18)15-14(20)12-4-5-13(19)17(16-12)6-7-21-3/h4-5,10-11,18H,6-9H2,1-3H3,(H,15,20)
InChIKeyUEJLBRFWGPDMNE-UHFFFAOYSA-N
XLogP0.03
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672
(2S)-2-[[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362071
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
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
1-(2-methoxyethyl)-6-oxo-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 35019256
1-(2-methoxyethyl)-6-oxo-N-[(1R)-1-pyridin-3-ylethyl]pyridazine-3-carboxamide
CID 94015301
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
1-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 24647725
1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide
CID 35245265

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide (CID 61247357) is N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is COCCn1nc(C(=O)NC(CO)CC(C)C)ccc1=O.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is UEJLBRFWGPDMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(2)8-11(9-18)15-14(20)12-4-5-13(19)17(16-12)6-7-21-3/h4-5,10-11,18H,6-9H2,1-3H3,(H,15,20).
What are the key properties of N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide?
N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 61247357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).