N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C13H21N3O3 — CID 79253183

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CO)C(C)C)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-7-16-12(18)6-5-10(15-16)13(19)14-11(8-17)9(2)3/h5-6,9,11,17H,4,7-8H2,1-3H3,(H,14,19)
InChIKeyPRPUIBHGZMZPAU-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.40
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 79253183) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID79253183
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(CO)C(C)C)ccc1=O
InChIInChI=1S/C13H21N3O3/c1-4-7-16-12(18)6-5-10(15-16)13(19)14-11(8-17)9(2)3/h5-6,9,11,17H,4,7-8H2,1-3H3,(H,14,19)
InChIKeyPRPUIBHGZMZPAU-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-oxopyridazine-3-carboxamide
CID 79246006
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374
N-[3-(hydroxymethyl)pentan-3-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62521741
N-[(2R)-1-hydroxypropan-2-yl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 79027672

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 79253183) is N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(CO)C(C)C)ccc1=O.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is PRPUIBHGZMZPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-7-16-12(18)6-5-10(15-16)13(19)14-11(8-17)9(2)3/h5-6,9,11,17H,4,7-8H2,1-3H3,(H,14,19).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 79253183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).