4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C13H19N3O4 — CID 104669767

IUPAC4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCc1nnc(C)cc1C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C13H19N3O4/c1-4-10-9(5-8(2)15-16-10)12(19)14-7-13(3,20)6-11(17)18/h5,20H,4,6-7H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyUSWFAXFWJJAPAY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.30
Rot. Bonds6

About 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 104669767) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID104669767
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCc1nnc(C)cc1C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C13H19N3O4/c1-4-10-9(5-8(2)15-16-10)12(19)14-7-13(3,20)6-11(17)18/h5,20H,4,6-7H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyUSWFAXFWJJAPAY-UHFFFAOYSA-N
XLogP0.30
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
N-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 104669831
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 104669767) is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CCc1nnc(C)cc1C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is USWFAXFWJJAPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-10-9(5-8(2)15-16-10)12(19)14-7-13(3,20)6-11(17)18/h5,20H,4,6-7H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 104669767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).