4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C21H23N3O5 — CID 91091545

IUPAC4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCC(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCO)cc3)cnc2[nH]1
InChIInChI=1S/C21H23N3O5/c1-2-19(26)18-12-15-11-16(13-22-20(15)24-18)23-21(27)14-3-5-17(6-4-14)29-10-9-28-8-7-25/h3-6,11-13,25H,2,7-10H2,1H3,(H,22,24)(H,23,27)
InChIKeyMCIPKHMXFGILHR-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.80
Rot. Bonds10

About 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 91091545) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID91091545
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCC(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCO)cc3)cnc2[nH]1
InChIInChI=1S/C21H23N3O5/c1-2-19(26)18-12-15-11-16(13-22-20(15)24-18)23-21(27)14-3-5-17(6-4-14)29-10-9-28-8-7-25/h3-6,11-13,25H,2,7-10H2,1H3,(H,22,24)(H,23,27)
InChIKeyMCIPKHMXFGILHR-UHFFFAOYSA-N
XLogP2.80
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Amg 579
CID 59351313
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
Piperazine, 1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((6-(phenylmethoxy)-1H-indol-2-yl)carbonyl)-
CID 453392
2-[2-(2-{[2-({4-[[3-(Isopropylamino)pyridin-2-yl](methyl)amino]piperidin-1-yl}carbonyl)-1H-indol-6-yl]oxy}ethoxy)ethoxy]ethanol
CID 462953
N-(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}phenyl)-6-phenylpyridine-2-carboxamide
CID 21081778
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 16318785
N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 24769779

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 91091545) is 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CCC(=O)c1cc2cc(NC(=O)c3ccc(OCCOCCO)cc3)cnc2[nH]1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is MCIPKHMXFGILHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-2-19(26)18-12-15-11-16(13-22-20(15)24-18)23-21(27)14-3-5-17(6-4-14)29-10-9-28-8-7-25/h3-6,11-13,25H,2,7-10H2,1H3,(H,22,24)(H,23,27).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 397.43 g/mol, XLogP of 2.80, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethoxy]-N-(2-propanoyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 91091545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).