bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate

C19H15N3O4 — CID 101348093

IUPACbis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate
SMILESO=C(OCc1ccncc1)c1cccc(C(=O)OCc2ccncc2)n1
InChIInChI=1S/C19H15N3O4/c23-18(25-12-14-4-8-20-9-5-14)16-2-1-3-17(22-16)19(24)26-13-15-6-10-21-11-7-15/h1-11H,12-13H2
InChIKeyQVCOVURSDGBJJN-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.59
Rot. Bonds6

About bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate

bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate (PubChem CID 101348093) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate
PubChem CID101348093
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Namebis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate
SMILESO=C(OCc1ccncc1)c1cccc(C(=O)OCc2ccncc2)n1
InChIInChI=1S/C19H15N3O4/c23-18(25-12-14-4-8-20-9-5-14)16-2-1-3-17(22-16)19(24)26-13-15-6-10-21-11-7-15/h1-11H,12-13H2
InChIKeyQVCOVURSDGBJJN-UHFFFAOYSA-N
XLogP2.59
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

pyridin-4-ylmethyl 3-amino-2-chlorobenzoate
CID 112580450
(4-bromophenyl)methyl 6-chloropyridine-2-carboxylate
CID 78990394
pyridin-4-ylmethyl 2-amino-6-methylbenzoate
CID 61323419
pyridin-4-ylmethoxymethanethioic S-acid
CID 145333664
3-O-[[3-[[3-oxo-3-(pyridin-4-ylmethoxy)propanoyl]oxymethyl]phenyl]methyl] 1-O-(pyridin-4-ylmethyl) propanedioate
CID 135011769
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
bis[(5-methoxycarbonylfuran-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 2627632
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
(4-bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
benzyl 6-[[diethyl(oxo)-λ6-sulfanylidene]amino]pyridine-2-carboxylate
CID 167247737
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
ethane;1-O-ethyl 2-O-(pyridin-4-ylmethyl) oxalate
CID 145065639

Frequently Asked Questions

What is the IUPAC name of bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate?
The IUPAC name of bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate (CID 101348093) is bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate?
The canonical SMILES for bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate is O=C(OCc1ccncc1)c1cccc(C(=O)OCc2ccncc2)n1.
What is the InChIKey of bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate?
The InChIKey is QVCOVURSDGBJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(25-12-14-4-8-20-9-5-14)16-2-1-3-17(22-16)19(24)26-13-15-6-10-21-11-7-15/h1-11H,12-13H2.
What are the key properties of bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate?
bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate has a molecular weight of 349.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-4-ylmethyl) pyridine-2,6-dicarboxylate is sourced from PubChem (CID 101348093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).