2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone

C19H21N3O2 — CID 110203465

IUPAC2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H]1COc1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O2/c23-19(22-9-7-14-4-1-2-6-18(14)22)17-12-21-10-15(17)13-24-16-5-3-8-20-11-16/h1-6,8,11,15,17,21H,7,9-10,12-13H2/t15-,17+/m0/s1
InChIKeyKKELASYXSZRWBZ-DOTOQJQBSA-N
MW323.40 g/mol
LogP1.89
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone

2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone (PubChem CID 110203465) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone
PubChem CID110203465
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CNC[C@H]1COc1cccnc1)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O2/c23-19(22-9-7-14-4-1-2-6-18(14)22)17-12-21-10-15(17)13-24-16-5-3-8-20-11-16/h1-6,8,11,15,17,21H,7,9-10,12-13H2/t15-,17+/m0/s1
InChIKeyKKELASYXSZRWBZ-DOTOQJQBSA-N
XLogP1.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(pyridin-3-yloxymethyl)morpholin-4-yl]ethanone
CID 71062530
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
2-(2,3-dihydroindole-1-carbonyl)-N-[(2-ethoxy-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 55577425
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
2,3-dihydroindol-1-yl-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 4137819
2,3-dihydroindol-1-yl-(2-pyridin-3-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanone
CID 113203321
4-(2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 110682120
phenyl 2-(pyridin-3-yloxymethyl)piperazine-1-carboxylate;hydrochloride
CID 90643561
2-phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone (CID 110203465) is 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone is O=C([C@@H]1CNC[C@H]1COc1cccnc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone?
The InChIKey is KKELASYXSZRWBZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(22-9-7-14-4-1-2-6-18(14)22)17-12-21-10-15(17)13-24-16-5-3-8-20-11-16/h1-6,8,11,15,17,21H,7,9-10,12-13H2/t15-,17+/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone?
2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[(3S,4S)-4-(pyridin-3-yloxymethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 110203465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).