2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone

C22H24N4O2 — CID 133347562

IUPAC2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
SMILESCc1noc(C)c1CCCNc1ncccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-15-18(16(2)28-25-15)8-5-12-23-21-19(9-6-13-24-21)22(27)26-14-11-17-7-3-4-10-20(17)26/h3-4,6-7,9-10,13H,5,8,11-12,14H2,1-2H3,(H,23,24)
InChIKeyPXTLJPBKOBSFPK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.93
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone (PubChem CID 133347562) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
PubChem CID133347562
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
SMILESCc1noc(C)c1CCCNc1ncccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H24N4O2/c1-15-18(16(2)28-25-15)8-5-12-23-21-19(9-6-13-24-21)22(27)26-14-11-17-7-3-4-10-20(17)26/h3-4,6-7,9-10,13H,5,8,11-12,14H2,1-2H3,(H,23,24)
InChIKeyPXTLJPBKOBSFPK-UHFFFAOYSA-N
XLogP3.93
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroindol-1-yl-[2-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]methanone
CID 133346714
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
CID 133321187
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
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 133470631
2,3-dihydroindol-1-yl-[2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methylamino]-3-pyridinyl]methanone
CID 133321999
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone (CID 133347562) is 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone is Cc1noc(C)c1CCCNc1ncccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone?
The InChIKey is PXTLJPBKOBSFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-18(16(2)28-25-15)8-5-12-23-21-19(9-6-13-24-21)22(27)26-14-11-17-7-3-4-10-20(17)26/h3-4,6-7,9-10,13H,5,8,11-12,14H2,1-2H3,(H,23,24).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133347562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).