2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid

C13H19N3O3 — CID 113439190

IUPAC2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
SMILESCc1cc(C(=O)NCC(C(=O)O)C(C)C)c(C)nn1
InChIInChI=1S/C13H19N3O3/c1-7(2)11(13(18)19)6-14-12(17)10-5-8(3)15-16-9(10)4/h5,7,11H,6H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyUISGUBAQYATZHJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds5

About 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid

2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 113439190) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
PubChem CID113439190
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid
SMILESCc1cc(C(=O)NCC(C(=O)O)C(C)C)c(C)nn1
InChIInChI=1S/C13H19N3O3/c1-7(2)11(13(18)19)6-14-12(17)10-5-8(3)15-16-9(10)4/h5,7,11H,6H2,1-4H3,(H,14,17)(H,18,19)
InChIKeyUISGUBAQYATZHJ-UHFFFAOYSA-N
XLogP1.18
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107473920
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114152443
N-(2-amino-4-methylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 107158781
N-(2-aminobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671449
2-[[(1,3-dimethylpyrazole-4-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 102801287
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669133
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 112548491
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670487
3-methyl-2-[[(4-methylthiadiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65220608

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid (CID 113439190) is 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid is Cc1cc(C(=O)NCC(C(=O)O)C(C)C)c(C)nn1.
What is the InChIKey of 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is UISGUBAQYATZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7(2)11(13(18)19)6-14-12(17)10-5-8(3)15-16-9(10)4/h5,7,11H,6H2,1-4H3,(H,14,17)(H,18,19).
What are the key properties of 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid?
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 113439190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).