N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide

C19H19N3O4 — CID 163978628

IUPACN-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(C)=O)cc3c2)cc1
InChIInChI=1S/C19H19N3O4/c1-12(23)17-10-14-9-15(11-20-18(14)22-17)21-19(24)13-3-5-16(6-4-13)26-8-7-25-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,24)
InChIKeySWKFPLIGBJCEID-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.04
Rot. Bonds7

About N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide

N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide (PubChem CID 163978628) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide
PubChem CID163978628
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(C)=O)cc3c2)cc1
InChIInChI=1S/C19H19N3O4/c1-12(23)17-10-14-9-15(11-20-18(14)22-17)21-19(24)13-3-5-16(6-4-13)26-8-7-25-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,24)
InChIKeySWKFPLIGBJCEID-UHFFFAOYSA-N
XLogP3.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
4-amino-N-[2-(2-methylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 129076574
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide;N-[2-(2,2-dimethylpropanoyl)-1H-pyrrolo[2,3-c]pyridin-5-yl]-4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
CID 159008197
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
N-[3-[[(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]methyl]-4-methylphenyl]-3-(fluoromethoxy)benzamide
CID 90269490
4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
CID 59642161
N-(6-amino-3-pyridinyl)-4-(3-methoxypropoxy)benzamide
CID 119515767
propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 11581473

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide (CID 163978628) is N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2cnc3[nH]c(C(C)=O)cc3c2)cc1.
What is the InChIKey of N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide?
The InChIKey is SWKFPLIGBJCEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(23)17-10-14-9-15(11-20-18(14)22-17)21-19(24)13-3-5-16(6-4-13)26-8-7-25-2/h3-6,9-11H,7-8H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide?
N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide has a molecular weight of 353.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 163978628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).