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

C10H11Cl2N3O3 — CID 79792646

IUPAC2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(Cl)nnc1Cl)C(=O)O
InChIInChI=1S/C10H11Cl2N3O3/c1-3-10(2,9(17)18)13-8(16)5-4-6(11)14-15-7(5)12/h4H,3H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyWCHWXDGQBXCFHD-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.77
Rot. Bonds4

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

2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79792646) has the molecular formula C10H11Cl2N3O3 and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79792646
Molecular FormulaC10H11Cl2N3O3
Molecular Weight292.12 g/mol
Exact Mass291.02
IUPAC Name2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)c1cc(Cl)nnc1Cl)C(=O)O
InChIInChI=1S/C10H11Cl2N3O3/c1-3-10(2,9(17)18)13-8(16)5-4-6(11)14-15-7(5)12/h4H,3H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyWCHWXDGQBXCFHD-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

3-[(3,6-dichloropyridazine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64673044
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
2-[(5-chloro-2-fluorobenzoyl)amino]-2-methylbutanoic acid
CID 79792917
2-[(4-amino-3,5-dichlorobenzoyl)amino]-2-methylbutanoic acid
CID 82832526
2-[(3,5-dichloro-2-iodobenzoyl)amino]-2-methylbutanoic acid
CID 79792974
2-[(4-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 79793235
(2S)-2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416073
(2S)-2-[(4-amino-5-chloro-2-ethoxybenzoyl)amino]-2-methylbutanoic acid
CID 142416082
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
2-[(2,5-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79792717
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
(2S)-2-[(3,6-dichloropyridazine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61136800

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid (CID 79792646) is 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)c1cc(Cl)nnc1Cl)C(=O)O.
What is the InChIKey of 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is WCHWXDGQBXCFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O3/c1-3-10(2,9(17)18)13-8(16)5-4-6(11)14-15-7(5)12/h4H,3H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid?
2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-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 2-[(3,6-dichloropyridazine-4-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79792646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).