3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

C15H18N4O2 — CID 62701675

IUPAC3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCN(Cc1ccncc1)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H18N4O2/c1-4-19(9-12-5-7-16-8-6-12)14-13(15(20)21)10(2)11(3)17-18-14/h5-8H,4,9H2,1-3H3,(H,20,21)
InChIKeyXGEAJFMJZSOIGK-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.21
Rot. Bonds5

About 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid

3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (PubChem CID 62701675) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
PubChem CID62701675
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
SMILESCCN(Cc1ccncc1)c1nnc(C)c(C)c1C(=O)O
InChIInChI=1S/C15H18N4O2/c1-4-19(9-12-5-7-16-8-6-12)14-13(15(20)21)10(2)11(3)17-18-14/h5-8H,4,9H2,1-3H3,(H,20,21)
InChIKeyXGEAJFMJZSOIGK-UHFFFAOYSA-N
XLogP2.21
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[ethyl(thiophen-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701009
4-(aminomethyl)-N-ethyl-5,6-dimethyl-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 61447677
3-[ethyl(propyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 55108036
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 62701844
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
3-[benzyl(ethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 60732000
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-3-carbothioamide
CID 61449365
1-[2-[ethyl(pyridin-4-ylmethyl)amino]-6-fluorophenyl]ethanone
CID 60678602

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The IUPAC name of 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid (CID 62701675) is 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is CCN(Cc1ccncc1)c1nnc(C)c(C)c1C(=O)O.
What is the InChIKey of 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
The InChIKey is XGEAJFMJZSOIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-19(9-12-5-7-16-8-6-12)14-13(15(20)21)10(2)11(3)17-18-14/h5-8H,4,9H2,1-3H3,(H,20,21).
What are the key properties of 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid?
3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(pyridin-4-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid is sourced from PubChem (CID 62701675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).