2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid

C14H21N3O3 — CID 104669831

IUPAC2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
SMILESCCc1nnc(C)cc1C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-5-11-10(8-9(4)16-17-11)12(18)15-14(6-2,7-3)13(19)20/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyIUMFCWIOODGWCS-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds6

About 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid

2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid (PubChem CID 104669831) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
PubChem CID104669831
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
SMILESCCc1nnc(C)cc1C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-5-11-10(8-9(4)16-17-11)12(18)15-14(6-2,7-3)13(19)20/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyIUMFCWIOODGWCS-UHFFFAOYSA-N
XLogP1.72
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625310
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669326
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 104669767
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid (CID 104669831) is 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid is CCc1nnc(C)cc1C(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
The InChIKey is IUMFCWIOODGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-11-10(8-9(4)16-17-11)12(18)15-14(6-2,7-3)13(19)20/h8H,5-7H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid?
2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 104669831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).