6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid

C23H24N4O3 — CID 89474430

IUPAC6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCC(OC(c3ccccn3)c3ccccn3)CC2)n1
InChIInChI=1S/C23H24N4O3/c28-23(29)21-9-5-6-17(26-21)16-27-14-10-18(11-15-27)30-22(19-7-1-3-12-24-19)20-8-2-4-13-25-20/h1-9,12-13,18,22H,10-11,14-16H2,(H,28,29)
InChIKeyKVWWIELBKALJIG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.34
Rot. Bonds7

About 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 89474430) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID89474430
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CCC(OC(c3ccccn3)c3ccccn3)CC2)n1
InChIInChI=1S/C23H24N4O3/c28-23(29)21-9-5-6-17(26-21)16-27-14-10-18(11-15-27)30-22(19-7-1-3-12-24-19)20-8-2-4-13-25-20/h1-9,12-13,18,22H,10-11,14-16H2,(H,28,29)
InChIKeyKVWWIELBKALJIG-UHFFFAOYSA-N
XLogP3.34
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 89474430) is 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CCC(OC(c3ccccn3)c3ccccn3)CC2)n1.
What is the InChIKey of 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is KVWWIELBKALJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23(29)21-9-5-6-17(26-21)16-27-14-10-18(11-15-27)30-22(19-7-1-3-12-24-19)20-8-2-4-13-25-20/h1-9,12-13,18,22H,10-11,14-16H2,(H,28,29).
What are the key properties of 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 404.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dipyridin-2-ylmethoxy)piperidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 89474430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).