methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate

C13H14N4O2 — CID 106895872

IUPACmethyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNCc2cccnn2)nc1
InChIInChI=1S/C13H14N4O2/c1-19-13(18)10-4-5-11(15-7-10)8-14-9-12-3-2-6-16-17-12/h2-7,14H,8-9H2,1H3
InChIKeyPSCCWXISXODRJM-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.95
Rot. Bonds5

About methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate

methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate (PubChem CID 106895872) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
PubChem CID106895872
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CNCc2cccnn2)nc1
InChIInChI=1S/C13H14N4O2/c1-19-13(18)10-4-5-11(15-7-10)8-14-9-12-3-2-6-16-17-12/h2-7,14H,8-9H2,1H3
InChIKeyPSCCWXISXODRJM-UHFFFAOYSA-N
XLogP0.95
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate 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

methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020
methyl 6-[[(4-methyl-3-pyridinyl)methylamino]methyl]pyridine-3-carboxylate
CID 114955599
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
CID 114616881
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742
methyl 6-(pyridin-2-ylmethoxymethyl)pyridine-3-carboxylate
CID 83214326
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895038
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate (CID 106895872) is methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNCc2cccnn2)nc1.
What is the InChIKey of methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate?
The InChIKey is PSCCWXISXODRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-13(18)10-4-5-11(15-7-10)8-14-9-12-3-2-6-16-17-12/h2-7,14H,8-9H2,1H3.
What are the key properties of methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate?
methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 106895872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).