methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate

C25H23N5O2 — CID 59888431

IUPACmethyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccccn2)C(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C25H23N5O2/c1-32-25(31)19-11-12-21(29-16-19)18-30(17-20-8-2-5-13-26-20)24(22-9-3-6-14-27-22)23-10-4-7-15-28-23/h2-16,24H,17-18H2,1H3
InChIKeyRSBBXXPLOLLXGW-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.85
Rot. Bonds8

About methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate

methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate (PubChem CID 59888431) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate
PubChem CID59888431
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Namemethyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN(Cc2ccccn2)C(c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C25H23N5O2/c1-32-25(31)19-11-12-21(29-16-19)18-30(17-20-8-2-5-13-26-20)24(22-9-3-6-14-27-22)23-10-4-7-15-28-23/h2-16,24H,17-18H2,1H3
InChIKeyRSBBXXPLOLLXGW-UHFFFAOYSA-N
XLogP3.85
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate (CID 59888431) is methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN(Cc2ccccn2)C(c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is RSBBXXPLOLLXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-25(31)19-11-12-21(29-16-19)18-30(17-20-8-2-5-13-26-20)24(22-9-3-6-14-27-22)23-10-4-7-15-28-23/h2-16,24H,17-18H2,1H3.
What are the key properties of methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate?
methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 425.49 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 59888431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).