3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid

C10H11Cl2N3O3 — CID 64673044

IUPAC3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-10(2,4-7(16)17)13-9(18)5-3-6(11)14-15-8(5)12/h3H,4H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyAVKNLVGJMYPUSU-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.77
Rot. Bonds4

About 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid

3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64673044) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64673044
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Name3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C10H11Cl2N3O3/c1-10(2,4-7(16)17)13-9(18)5-3-6(11)14-15-8(5)12/h3H,4H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyAVKNLVGJMYPUSU-UHFFFAOYSA-N
XLogP1.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79792646
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
3-[(2-chloro-4,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 64672306
3-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64670517
3-[(4-chloro-2-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672649
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
3,6-dichloro-N-(3,6-dichloropyridazin-4-yl)pyridazine-4-carboxamide
CID 87380086
3-[(2,6-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 64670872
(2S)-2-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61136800
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64671902
3,6-dichloro-N-(3-methylbutyl)pyridazine-4-carboxamide
CID 103606420
3-[(5-chloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 64671499

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid (CID 64673044) is 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is AVKNLVGJMYPUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c1-10(2,4-7(16)17)13-9(18)5-3-6(11)14-15-8(5)12/h3H,4H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid?
3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 292.12 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64673044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).