N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide

C28H23N3O2 — CID 23646877

IUPACN-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1
InChIInChI=1S/C28H23N3O2/c32-27(15-19-6-2-1-3-7-19)30-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)33)26-16-22-18-29-13-12-25(22)31-26/h1-14,16,18,31,33H,15,17H2,(H,30,32)
InChIKeyKRBFFOMEETUITM-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.46
Rot. Bonds6

About N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide

N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide (PubChem CID 23646877) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide
PubChem CID23646877
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC NameN-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1
InChIInChI=1S/C28H23N3O2/c32-27(15-19-6-2-1-3-7-19)30-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)33)26-16-22-18-29-13-12-25(22)31-26/h1-14,16,18,31,33H,15,17H2,(H,30,32)
InChIKeyKRBFFOMEETUITM-UHFFFAOYSA-N
XLogP5.46
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide (CID 23646877) is N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1cccc(-c2cccc(-c3cc4cnccc4[nH]3)c2O)c1.
What is the InChIKey of N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is KRBFFOMEETUITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c32-27(15-19-6-2-1-3-7-19)30-17-20-8-4-9-21(14-20)23-10-5-11-24(28(23)33)26-16-22-18-29-13-12-25(22)31-26/h1-14,16,18,31,33H,15,17H2,(H,30,32).
What are the key properties of N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide?
N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 433.51 g/mol, XLogP of 5.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)phenyl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 23646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).