N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide

C14H23N3O3 — CID 103771085

IUPACN-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)CC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-7-17-13(19)6-5-12(16-17)14(20)15-9-11(18)8-10(2)3/h5-6,10-11,18H,4,7-9H2,1-3H3,(H,15,20)
InChIKeyGVKILDAKQCYGRO-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.79
Rot. Bonds7

About N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 103771085) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID103771085
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCC(O)CC(C)C)ccc1=O
InChIInChI=1S/C14H23N3O3/c1-4-7-17-13(19)6-5-12(16-17)14(20)15-9-11(18)8-10(2)3/h5-6,10-11,18H,4,7-9H2,1-3H3,(H,15,20)
InChIKeyGVKILDAKQCYGRO-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

methyl 2-hydroxy-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoate
CID 103879096
1-butyl-N-(2-hydroxy-3-methylbutyl)-6-oxopyridazine-3-carboxamide
CID 115701512
(2S)-3-[(1-butyl-6-oxopyridazine-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833510
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
N-(2-hydroxy-2,4-dimethylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 66179142
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
N-[(2R)-2-hydroxypropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 83031566
2-methyl-5-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 104681761

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 103771085) is N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCC(O)CC(C)C)ccc1=O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is GVKILDAKQCYGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-7-17-13(19)6-5-12(16-17)14(20)15-9-11(18)8-10(2)3/h5-6,10-11,18H,4,7-9H2,1-3H3,(H,15,20).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-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 N-(2-hydroxy-4-methylpentyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 103771085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).