2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone

C25H25N3O2 — CID 133474291

IUPAC2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
SMILESO=C(c1cccnc1NC1CCOC(c2ccccc2)C1)N1CCc2ccccc21
InChIInChI=1S/C25H25N3O2/c29-25(28-15-12-18-7-4-5-11-22(18)28)21-10-6-14-26-24(21)27-20-13-16-30-23(17-20)19-8-2-1-3-9-19/h1-11,14,20,23H,12-13,15-17H2,(H,26,27)
InChIKeyLTXAGKDHSXTCKH-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.62
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone (PubChem CID 133474291) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
PubChem CID133474291
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone
SMILESO=C(c1cccnc1NC1CCOC(c2ccccc2)C1)N1CCc2ccccc21
InChIInChI=1S/C25H25N3O2/c29-25(28-15-12-18-7-4-5-11-22(18)28)21-10-6-14-26-24(21)27-20-13-16-30-23(17-20)19-8-2-1-3-9-19/h1-11,14,20,23H,12-13,15-17H2,(H,26,27)
InChIKeyLTXAGKDHSXTCKH-UHFFFAOYSA-N
XLogP4.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-phenylcyclopropyl)methylamino]-3-pyridinyl]methanone
CID 133322063
cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
CID 133366904
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455
[2-[2-(5-bromofuran-2-yl)ethylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133374967
[2-[[4-(difluoromethyl)phenyl]methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133474821
2,3-dihydroindol-1-yl-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]methanone
CID 133356141
2,3-dihydroindol-1-yl-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-pyridinyl]methanone
CID 133342903
2,3-dihydroindol-1-yl-[2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-3-pyridinyl]methanone
CID 133491606
(2-hydrazinyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63483138
2,3-dihydroindol-1-yl-[2-[1-(1-phenyltriazol-4-yl)ethylamino]-3-pyridinyl]methanone
CID 133365342
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone (CID 133474291) is 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone is O=C(c1cccnc1NC1CCOC(c2ccccc2)C1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone?
The InChIKey is LTXAGKDHSXTCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-25(28-15-12-18-7-4-5-11-22(18)28)21-10-6-14-26-24(21)27-20-13-16-30-23(17-20)19-8-2-1-3-9-19/h1-11,14,20,23H,12-13,15-17H2,(H,26,27).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone has a molecular weight of 399.49 g/mol, XLogP of 4.62, 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-[2-[(2-phenyloxan-4-yl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 133474291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).