5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide

C22H19N3O2 — CID 44554851

IUPAC5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide
SMILESCCc1ccccc1-c1c[nH]c2ncc(-c3ccc(O)c(C(N)=O)c3)cc12
InChIInChI=1S/C22H19N3O2/c1-2-13-5-3-4-6-16(13)19-12-25-22-17(19)10-15(11-24-22)14-7-8-20(26)18(9-14)21(23)27/h3-12,26H,2H2,1H3,(H2,23,27)(H,24,25)
InChIKeySYVIJZMEELRWNY-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.26
Rot. Bonds4

About 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide

5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide (PubChem CID 44554851) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide
PubChem CID44554851
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide
SMILESCCc1ccccc1-c1c[nH]c2ncc(-c3ccc(O)c(C(N)=O)c3)cc12
InChIInChI=1S/C22H19N3O2/c1-2-13-5-3-4-6-16(13)19-12-25-22-17(19)10-15(11-24-22)14-7-8-20(26)18(9-14)21(23)27/h3-12,26H,2H2,1H3,(H2,23,27)(H,24,25)
InChIKeySYVIJZMEELRWNY-UHFFFAOYSA-N
XLogP4.26
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide (CID 44554851) is 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide is CCc1ccccc1-c1c[nH]c2ncc(-c3ccc(O)c(C(N)=O)c3)cc12.
What is the InChIKey of 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide?
The InChIKey is SYVIJZMEELRWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-13-5-3-4-6-16(13)19-12-25-22-17(19)10-15(11-24-22)14-7-8-20(26)18(9-14)21(23)27/h3-12,26H,2H2,1H3,(H2,23,27)(H,24,25).
What are the key properties of 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide?
5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-ethylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-hydroxybenzamide is sourced from PubChem (CID 44554851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).