N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide

C25H23N3O4 — CID 168912112

IUPACN-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCNC(=O)C(=O)c1cn(COCc2ccccc2)c2nccc(OCc3ccccc3)c12
InChIInChI=1S/C25H23N3O4/c1-26-25(30)23(29)20-14-28(17-31-15-18-8-4-2-5-9-18)24-22(20)21(12-13-27-24)32-16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3,(H,26,30)
InChIKeyFNYZVHUWZLFLFR-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.72
Rot. Bonds9

About N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide

N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 168912112) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID168912112
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCNC(=O)C(=O)c1cn(COCc2ccccc2)c2nccc(OCc3ccccc3)c12
InChIInChI=1S/C25H23N3O4/c1-26-25(30)23(29)20-14-28(17-31-15-18-8-4-2-5-9-18)24-22(20)21(12-13-27-24)32-16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3,(H,26,30)
InChIKeyFNYZVHUWZLFLFR-UHFFFAOYSA-N
XLogP3.72
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzyl-4-phenylmethoxypyrrolo[2,3-b]pyridin-3-yl)-2-(dimethylamino)ethanol
CID 163393166
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CID 57222911
[(2S)-1-oxo-1-[1-(phenylmethoxymethyl)imidazol-2-yl]propan-2-yl]carbamic acid
CID 68588264
4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 510418
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
2-(7-bromo-5-fluoro-4-phenylmethoxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 176890972
4-(aminomethyl)-N-[1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]cyclohexane-1-carboxamide;hydrate
CID 18998585
1-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 10503348
1-[2-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]ethanone
CID 147786681
acetic acid;phenylmethoxymethylbenzene
CID 175214238
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 168912112) is N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide is CNC(=O)C(=O)c1cn(COCc2ccccc2)c2nccc(OCc3ccccc3)c12.
What is the InChIKey of N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is FNYZVHUWZLFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-26-25(30)23(29)20-14-28(17-31-15-18-8-4-2-5-9-18)24-22(20)21(12-13-27-24)32-16-19-10-6-3-7-11-19/h2-14H,15-17H2,1H3,(H,26,30).
What are the key properties of N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-2-[4-phenylmethoxy-1-(phenylmethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 168912112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).