2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide

C19H21N3O2 — CID 53145002

IUPAC2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C19H21N3O2/c1-3-24-17-9-5-4-7-16(17)19(23)21-12-10-14-13-22(2)18-15(14)8-6-11-20-18/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyQRUGTOMUCATKOK-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.94
Rot. Bonds6

About 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide

2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide (PubChem CID 53145002) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
PubChem CID53145002
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCc1cn(C)c2ncccc12
InChIInChI=1S/C19H21N3O2/c1-3-24-17-9-5-4-7-16(17)19(23)21-12-10-14-13-22(2)18-15(14)8-6-11-20-18/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyQRUGTOMUCATKOK-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 53145071
1-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 53144596
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
CID 146108760
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 53145112
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-(2-chloro-4-methoxyphenyl)-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 53145052
N-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-2,5-difluorobenzamide
CID 53144971
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide (CID 53145002) is 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide is CCOc1ccccc1C(=O)NCCc1cn(C)c2ncccc12.
What is the InChIKey of 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
The InChIKey is QRUGTOMUCATKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-24-17-9-5-4-7-16(17)19(23)21-12-10-14-13-22(2)18-15(14)8-6-11-20-18/h4-9,11,13H,3,10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide?
2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 53145002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).