5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid

C15H18N4O2 — CID 62702160

IUPAC5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CCc2ccccn2)c(C(=O)O)c1C
InChIInChI=1S/C15H18N4O2/c1-10-11(2)17-18-14(13(10)15(20)21)19(3)9-7-12-6-4-5-8-16-12/h4-6,8H,7,9H2,1-3H3,(H,20,21)
InChIKeyQJIQORJRGZDXKI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.87
Rot. Bonds5

About 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid

5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid (PubChem CID 62702160) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid
PubChem CID62702160
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid
SMILESCc1nnc(N(C)CCc2ccccn2)c(C(=O)O)c1C
InChIInChI=1S/C15H18N4O2/c1-10-11(2)17-18-14(13(10)15(20)21)19(3)9-7-12-6-4-5-8-16-12/h4-6,8H,7,9H2,1-3H3,(H,20,21)
InChIKeyQJIQORJRGZDXKI-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 79522521
3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
[3-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]phenyl]methanol
CID 62121542
3-bromo-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 82800570
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide
CID 26399916
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
4-N,6-N,2,5-tetramethyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766493

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid (CID 62702160) is 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid is Cc1nnc(N(C)CCc2ccccn2)c(C(=O)O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is QJIQORJRGZDXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-11(2)17-18-14(13(10)15(20)21)19(3)9-7-12-6-4-5-8-16-12/h4-6,8H,7,9H2,1-3H3,(H,20,21).
What are the key properties of 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid?
5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 62702160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).