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

C13H19N3O4 — CID 104669556

IUPAC2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCc1nnc(C)cc1C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C13H19N3O4/c1-4-11-10(7-9(2)14-15-11)13(19)16(5-6-20-3)8-12(17)18/h7H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyPNCYOSQJJHOSMF-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.52
Rot. Bonds7

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

2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 104669556) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID104669556
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCc1nnc(C)cc1C(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C13H19N3O4/c1-4-11-10(7-9(2)14-15-11)13(19)16(5-6-20-3)8-12(17)18/h7H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyPNCYOSQJJHOSMF-UHFFFAOYSA-N
XLogP0.52
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
3-ethyl-N,N-bis(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104625733
methyl 2-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]acetate
CID 104624340
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
2-[2-methoxyethyl-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]acetic acid
CID 120516233
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189738
2-[2-methoxyethyl-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119189354
3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
2-[(4-chloro-2,5-difluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 82782990

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 104669556) is 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is CCc1nnc(C)cc1C(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is PNCYOSQJJHOSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-11-10(7-9(2)14-15-11)13(19)16(5-6-20-3)8-12(17)18/h7H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 104669556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).