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

C23H21N3O — CID 166062940

IUPACN-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
SMILESO=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)NCc1ccccc1
InChIInChI=1S/C23H21N3O/c27-22(25-15-18-5-2-1-3-6-18)10-9-17-7-4-8-19(13-17)21-14-20-11-12-24-23(20)26-16-21/h1-8,11-14,16H,9-10,15H2,(H,24,26)(H,25,27)
InChIKeyBZWODQBEVAMMRF-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.48
Rot. Bonds6

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

N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide (PubChem CID 166062940) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
PubChem CID166062940
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
SMILESO=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)NCc1ccccc1
InChIInChI=1S/C23H21N3O/c27-22(25-15-18-5-2-1-3-6-18)10-9-17-7-4-8-19(13-17)21-14-20-11-12-24-23(20)26-16-21/h1-8,11-14,16H,9-10,15H2,(H,24,26)(H,25,27)
InChIKeyBZWODQBEVAMMRF-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
The IUPAC name of N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide (CID 166062940) is N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
The canonical SMILES for N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide is O=C(CCc1cccc(-c2cnc3[nH]ccc3c2)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
The InChIKey is BZWODQBEVAMMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-22(25-15-18-5-2-1-3-6-18)10-9-17-7-4-8-19(13-17)21-14-20-11-12-24-23(20)26-16-21/h1-8,11-14,16H,9-10,15H2,(H,24,26)(H,25,27).
What are the key properties of N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide?
N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide has a molecular weight of 355.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide is sourced from PubChem (CID 166062940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).