2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone

C24H29N3O2 — CID 133378058

IUPAC2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC2CCOC3(CCCCC3)C2)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H29N3O2/c28-23(27-14-10-18-6-2-3-7-21(18)27)19-8-9-22(25-17-19)26-20-11-15-29-24(16-20)12-4-1-5-13-24/h2-3,6-9,17,20H,1,4-5,10-16H2,(H,25,26)
InChIKeyLEHKEHWEOUIOJT-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.58
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone (PubChem CID 133378058) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
PubChem CID133378058
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
SMILESO=C(c1ccc(NC2CCOC3(CCCCC3)C2)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H29N3O2/c28-23(27-14-10-18-6-2-3-7-21(18)27)19-8-9-22(25-17-19)26-20-11-15-29-24(16-20)12-4-1-5-13-24/h2-3,6-9,17,20H,1,4-5,10-16H2,(H,25,26)
InChIKeyLEHKEHWEOUIOJT-UHFFFAOYSA-N
XLogP4.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
CID 127597666
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
CID 97017175
1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133357440
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
2,3-dihydroindol-1-yl-[2-(oxolan-2-ylmethylamino)pyrimidin-5-yl]methanone
CID 109252576
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-3-pyridinyl]methanone
CID 133357945
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone (CID 133378058) is 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone is O=C(c1ccc(NC2CCOC3(CCCCC3)C2)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone?
The InChIKey is LEHKEHWEOUIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(27-14-10-18-6-2-3-7-21(18)27)19-8-9-22(25-17-19)26-20-11-15-29-24(16-20)12-4-1-5-13-24/h2-3,6-9,17,20H,1,4-5,10-16H2,(H,25,26).
What are the key properties of 2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone has a molecular weight of 391.52 g/mol, XLogP of 4.58, 3 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-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 133378058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).