6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid

C25H27N5O5 — CID 129277993

IUPAC6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(OC2CCN(c3nc(C(=O)O)c(C(=O)NCc4ccncc4)cc3C)CC2)cn1
InChIInChI=1S/C25H27N5O5/c1-16-13-20(24(31)28-14-17-5-9-26-10-6-17)22(25(32)33)29-23(16)30-11-7-18(8-12-30)35-19-3-4-21(34-2)27-15-19/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,28,31)(H,32,33)
InChIKeyRBLBPZIFEPMQER-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.86
Rot. Bonds8

About 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid

6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 129277993) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID129277993
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(OC2CCN(c3nc(C(=O)O)c(C(=O)NCc4ccncc4)cc3C)CC2)cn1
InChIInChI=1S/C25H27N5O5/c1-16-13-20(24(31)28-14-17-5-9-26-10-6-17)22(25(32)33)29-23(16)30-11-7-18(8-12-30)35-19-3-4-21(34-2)27-15-19/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,28,31)(H,32,33)
InChIKeyRBLBPZIFEPMQER-UHFFFAOYSA-N
XLogP2.86
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid (CID 129277993) is 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid is COc1ccc(OC2CCN(c3nc(C(=O)O)c(C(=O)NCc4ccncc4)cc3C)CC2)cn1.
What is the InChIKey of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is RBLBPZIFEPMQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-16-13-20(24(31)28-14-17-5-9-26-10-6-17)22(25(32)33)29-23(16)30-11-7-18(8-12-30)35-19-3-4-21(34-2)27-15-19/h3-6,9-10,13,15,18H,7-8,11-12,14H2,1-2H3,(H,28,31)(H,32,33).
What are the key properties of 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid?
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 477.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-3-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 129277993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).