2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone

C23H30N4O — CID 133491606

IUPAC2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
SMILESCN(C)CC1(CNc2ncccc2C(=O)N2CCc3ccccc32)CCCC1
InChIInChI=1S/C23H30N4O/c1-26(2)17-23(12-5-6-13-23)16-25-21-19(9-7-14-24-21)22(28)27-15-11-18-8-3-4-10-20(18)27/h3-4,7-10,14H,5-6,11-13,15-17H2,1-2H3,(H,24,25)
InChIKeyXYXLSXLBBAWKAO-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.82
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone (PubChem CID 133491606) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
PubChem CID133491606
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
SMILESCN(C)CC1(CNc2ncccc2C(=O)N2CCc3ccccc32)CCCC1
InChIInChI=1S/C23H30N4O/c1-26(2)17-23(12-5-6-13-23)16-25-21-19(9-7-14-24-21)22(28)27-15-11-18-8-3-4-10-20(18)27/h3-4,7-10,14H,5-6,11-13,15-17H2,1-2H3,(H,24,25)
InChIKeyXYXLSXLBBAWKAO-UHFFFAOYSA-N
XLogP3.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
CID 133321187
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]methanone
CID 133356141
2,3-dihydroindol-1-yl-[2-[(2-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
CID 133346714
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
CID 133366904
2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
CID 133321999

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone (CID 133491606) is 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone is CN(C)CC1(CNc2ncccc2C(=O)N2CCc3ccccc32)CCCC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone?
The InChIKey is XYXLSXLBBAWKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-26(2)17-23(12-5-6-13-23)16-25-21-19(9-7-14-24-21)22(28)27-15-11-18-8-3-4-10-20(18)27/h3-4,7-10,14H,5-6,11-13,15-17H2,1-2H3,(H,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.82, 6 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-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133491606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).