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

C13H19N3O3 — CID 104669492

IUPAC3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
SMILESCCc1nnc(C)cc1C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-11-10(8-9(3)14-15-11)13(19)16(5-2)7-6-12(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyPROAGLCALFZMJG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds6

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

3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid (PubChem CID 104669492) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
PubChem CID104669492
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
SMILESCCc1nnc(C)cc1C(=O)N(CC)CCC(=O)O
InChIInChI=1S/C13H19N3O3/c1-4-11-10(8-9(3)14-15-11)13(19)16(5-2)7-6-12(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKeyPROAGLCALFZMJG-UHFFFAOYSA-N
XLogP1.28
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
N-(2-aminoethyl)-3-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
CID 107493584
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
3-[(4-bromo-2-methylbenzoyl)-ethylamino]propanoic acid
CID 54898490
3-[(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)-ethylamino]propanoic acid
CID 61007292

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid (CID 104669492) is 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid is CCc1nnc(C)cc1C(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid?
The InChIKey is PROAGLCALFZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-11-10(8-9(3)14-15-11)13(19)16(5-2)7-6-12(17)18/h8H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid?
3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104669492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).