methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate

C18H18N2O3 — CID 148529409

IUPACmethyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate
SMILESCCC(=O)N1CCc2nc(-c3ccc(C(=O)OC)cc3)ccc21
InChIInChI=1S/C18H18N2O3/c1-3-17(21)20-11-10-15-16(20)9-8-14(19-15)12-4-6-13(7-5-12)18(22)23-2/h4-9H,3,10-11H2,1-2H3
InChIKeyMPZGYRPOWOVGNE-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.83
Rot. Bonds3

About methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate

methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate (PubChem CID 148529409) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate
PubChem CID148529409
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate
SMILESCCC(=O)N1CCc2nc(-c3ccc(C(=O)OC)cc3)ccc21
InChIInChI=1S/C18H18N2O3/c1-3-17(21)20-11-10-15-16(20)9-8-14(19-15)12-4-6-13(7-5-12)18(22)23-2/h4-9H,3,10-11H2,1-2H3
InChIKeyMPZGYRPOWOVGNE-UHFFFAOYSA-N
XLogP2.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
CID 46490405
ethane;methyl 2-methoxy-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoate
CID 153360813
N-[(4-methoxyphenyl)methyl]-4-(1-propanoyl-2,3-dihydroindol-5-yl)benzamide
CID 53109826
methyl 4-(7-methyl-2,3-dihydro-1H-inden-5-yl)benzoate;methyl 4-(7-methyl-1-propanoyl-2,3-dihydroindol-5-yl)benzoate;propanoyl chloride
CID 167574951
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-5-carboxylate
CID 55686184
2-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 1458890
methyl 4-[4-(6-methoxy-2-pyridinyl)phenyl]benzoate
CID 171697651
methyl 4-(6-hydroxyquinolin-2-yl)benzoate
CID 66980069
3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 53377425
methyl 4-[2-(5-nitro-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzoate
CID 27311133

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate?
The IUPAC name of methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate (CID 148529409) is methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate.
What is the SMILES notation for methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate?
The canonical SMILES for methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate is CCC(=O)N1CCc2nc(-c3ccc(C(=O)OC)cc3)ccc21.
What is the InChIKey of methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate?
The InChIKey is MPZGYRPOWOVGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-17(21)20-11-10-15-16(20)9-8-14(19-15)12-4-6-13(7-5-12)18(22)23-2/h4-9H,3,10-11H2,1-2H3.
What are the key properties of methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate?
methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate has a molecular weight of 310.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-propanoyl-2,3-dihydropyrrolo[3,2-b]pyridin-5-yl)benzoate is sourced from PubChem (CID 148529409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).