4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid

C22H17N3O4 — CID 22320660

IUPAC4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2cnc3oc(C(=O)NCc4ccncc4)cc3c2)cc1
InChIInChI=1S/C22H17N3O4/c26-20(24-12-15-5-7-23-8-6-15)19-11-18-10-16(13-25-21(18)29-19)9-14-1-3-17(4-2-14)22(27)28/h1-8,10-11,13H,9,12H2,(H,24,26)(H,27,28)
InChIKeyBVAHVSZOCPVTKE-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.44
Rot. Bonds6

About 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid

4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid (PubChem CID 22320660) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid
PubChem CID22320660
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2cnc3oc(C(=O)NCc4ccncc4)cc3c2)cc1
InChIInChI=1S/C22H17N3O4/c26-20(24-12-15-5-7-23-8-6-15)19-11-18-10-16(13-25-21(18)29-19)9-14-1-3-17(4-2-14)22(27)28/h1-8,10-11,13H,9,12H2,(H,24,26)(H,27,28)
InChIKeyBVAHVSZOCPVTKE-UHFFFAOYSA-N
XLogP3.44
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid (CID 22320660) is 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid is O=C(O)c1ccc(Cc2cnc3oc(C(=O)NCc4ccncc4)cc3c2)cc1.
What is the InChIKey of 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid?
The InChIKey is BVAHVSZOCPVTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c26-20(24-12-15-5-7-23-8-6-15)19-11-18-10-16(13-25-21(18)29-19)9-14-1-3-17(4-2-14)22(27)28/h1-8,10-11,13H,9,12H2,(H,24,26)(H,27,28).
What are the key properties of 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid?
4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid has a molecular weight of 387.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(pyridin-4-ylmethylcarbamoyl)furo[2,3-b]pyridin-5-yl]methyl]benzoic acid is sourced from PubChem (CID 22320660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).