N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

C25H26N4O3 — CID 44555167

IUPACN-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccc(O)c(C(=O)NCCN(C)C)c3)cc12
InChIInChI=1S/C25H26N4O3/c1-29(2)11-10-26-25(31)20-12-16(8-9-22(20)30)17-13-19-21(15-28-24(19)27-14-17)18-6-4-5-7-23(18)32-3/h4-9,12-15,30H,10-11H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyKFVYUWIXHCJGCL-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.90
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide

N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (PubChem CID 44555167) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
PubChem CID44555167
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3ccc(O)c(C(=O)NCCN(C)C)c3)cc12
InChIInChI=1S/C25H26N4O3/c1-29(2)11-10-26-25(31)20-12-16(8-9-22(20)30)17-13-19-21(15-28-24(19)27-14-17)18-6-4-5-7-23(18)32-3/h4-9,12-15,30H,10-11H2,1-3H3,(H,26,31)(H,27,28)
InChIKeyKFVYUWIXHCJGCL-UHFFFAOYSA-N
XLogP3.90
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide (CID 44555167) is N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is COc1ccccc1-c1c[nH]c2ncc(-c3ccc(O)c(C(=O)NCCN(C)C)c3)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
The InChIKey is KFVYUWIXHCJGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-29(2)11-10-26-25(31)20-12-16(8-9-22(20)30)17-13-19-21(15-28-24(19)27-14-17)18-6-4-5-7-23(18)32-3/h4-9,12-15,30H,10-11H2,1-3H3,(H,26,31)(H,27,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide?
N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 44555167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).