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

C28H32N4O3 — CID 25059759

IUPACN-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
SMILESCCc1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc(C(=O)N(C)CCN(C)C)c1O
InChIInChI=1S/C28H32N4O3/c1-6-18-13-19(14-23(26(18)33)28(34)32(4)12-11-31(2)3)20-15-22-24(17-30-27(22)29-16-20)21-9-7-8-10-25(21)35-5/h7-10,13-17,33H,6,11-12H2,1-5H3,(H,29,30)
InChIKeyDGVXHHFMLLSRDG-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.81
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide (PubChem CID 25059759) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
PubChem CID25059759
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC NameN-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide
SMILESCCc1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc(C(=O)N(C)CCN(C)C)c1O
InChIInChI=1S/C28H32N4O3/c1-6-18-13-19(14-23(26(18)33)28(34)32(4)12-11-31(2)3)20-15-22-24(17-30-27(22)29-16-20)21-9-7-8-10-25(21)35-5/h7-10,13-17,33H,6,11-12H2,1-5H3,(H,29,30)
InChIKeyDGVXHHFMLLSRDG-UHFFFAOYSA-N
XLogP4.81
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide (CID 25059759) is N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide is CCc1cc(-c2cnc3[nH]cc(-c4ccccc4OC)c3c2)cc(C(=O)N(C)CCN(C)C)c1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?
The InChIKey is DGVXHHFMLLSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-6-18-13-19(14-23(26(18)33)28(34)32(4)12-11-31(2)3)20-15-22-24(17-30-27(22)29-16-20)21-9-7-8-10-25(21)35-5/h7-10,13-17,33H,6,11-12H2,1-5H3,(H,29,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-ethyl-2-hydroxy-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 25059759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).