cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone

C24H28N4O2 — CID 133366904

IUPACcyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C24H28N4O2/c29-23(18-7-1-2-8-18)27-14-12-19(16-27)26-22-20(9-5-13-25-22)24(30)28-15-11-17-6-3-4-10-21(17)28/h3-6,9-10,13,18-19H,1-2,7-8,11-12,14-16H2,(H,25,26)
InChIKeyXMEWBJJLIMREAO-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.49
Rot. Bonds4

About cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone

cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone (PubChem CID 133366904) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
PubChem CID133366904
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Namecyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C24H28N4O2/c29-23(18-7-1-2-8-18)27-14-12-19(16-27)26-22-20(9-5-13-25-22)24(30)28-15-11-17-6-3-4-10-21(17)28/h3-6,9-10,13,18-19H,1-2,7-8,11-12,14-16H2,(H,25,26)
InChIKeyXMEWBJJLIMREAO-UHFFFAOYSA-N
XLogP3.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133348597
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
CID 133474291
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
2,3-dihydroindol-1-yl-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 133397709
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319017
2,3-dihydroindol-1-yl-[2-[(2-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
[3-[(3-chloro-2-pyridinyl)amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 133404509
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone (CID 133366904) is cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(Nc2ncccc2C(=O)N2CCc3ccccc32)C1.
What is the InChIKey of cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is XMEWBJJLIMREAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(18-7-1-2-8-18)27-14-12-19(16-27)26-22-20(9-5-13-25-22)24(30)28-15-11-17-6-3-4-10-21(17)28/h3-6,9-10,13,18-19H,1-2,7-8,11-12,14-16H2,(H,25,26).
What are the key properties of cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone?
cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 404.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 133366904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).