N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

C22H19N3O2 — CID 23625458

IUPACN-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cccc(NC(C)=O)c3)cc12
InChIInChI=1S/C22H19N3O2/c1-14(26)25-17-7-5-6-15(10-17)16-11-19-20(13-24-22(19)23-12-16)18-8-3-4-9-21(18)27-2/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBLZJCDJMIBXBBX-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.86
Rot. Bonds4

About N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide

N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 23625458) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
PubChem CID23625458
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cccc(NC(C)=O)c3)cc12
InChIInChI=1S/C22H19N3O2/c1-14(26)25-17-7-5-6-15(10-17)16-11-19-20(13-24-22(19)23-12-16)18-8-3-4-9-21(18)27-2/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyBLZJCDJMIBXBBX-UHFFFAOYSA-N
XLogP4.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (CID 23625458) is N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is COc1ccccc1-c1c[nH]c2ncc(-c3cccc(NC(C)=O)c3)cc12.
What is the InChIKey of N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is BLZJCDJMIBXBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14(26)25-17-7-5-6-15(10-17)16-11-19-20(13-24-22(19)23-12-16)18-8-3-4-9-21(18)27-2/h3-13H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 23625458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).