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

C13H14N4O2 — CID 54944199

IUPAC6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
SMILESCN(CCc1ccncc1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C13H14N4O2/c1-17(9-6-10-4-7-14-8-5-10)12-3-2-11(13(18)19)15-16-12/h2-5,7-8H,6,9H2,1H3,(H,18,19)
InChIKeyMKVCBTRPNGINKY-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.25
Rot. Bonds5

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

6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid (PubChem CID 54944199) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
PubChem CID54944199
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid
SMILESCN(CCc1ccncc1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C13H14N4O2/c1-17(9-6-10-4-7-14-8-5-10)12-3-2-11(13(18)19)15-16-12/h2-5,7-8H,6,9H2,1H3,(H,18,19)
InChIKeyMKVCBTRPNGINKY-UHFFFAOYSA-N
XLogP1.25
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109115358
N-benzyl-6-[methyl(2-pyridin-4-ylethyl)amino]-N-propan-2-ylpyridazine-3-carboxamide
CID 109122580
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614
N-[2-(4-methoxyphenyl)ethyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122510
N-(5-methyl-1,2-oxazol-3-yl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122658
N-[(2-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109118133
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568996
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazin-3-amine
CID 62285835
6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
CID 122143450
N-[6-[methyl(2-pyridin-4-ylethyl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042823
N-(2-methoxy-5-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122631
2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 39160003

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid (CID 54944199) is 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid is CN(CCc1ccncc1)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is MKVCBTRPNGINKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-17(9-6-10-4-7-14-8-5-10)12-3-2-11(13(18)19)15-16-12/h2-5,7-8H,6,9H2,1H3,(H,18,19).
What are the key properties of 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid?
6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 54944199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).