2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone

C20H23N3O2 — CID 97017175

IUPAC2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N[C@H]2CCCC[C@@H]2O)nc1)N1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-18-8-4-2-6-16(18)22-19-10-9-15(13-21-19)20(25)23-12-11-14-5-1-3-7-17(14)23/h1,3,5,7,9-10,13,16,18,24H,2,4,6,8,11-12H2,(H,21,22)/t16-,18-/m0/s1
InChIKeyNXAPGCNWXHLFNO-WMZOPIPTSA-N
MW337.42 g/mol
LogP3.00
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone (PubChem CID 97017175) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
PubChem CID97017175
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(N[C@H]2CCCC[C@@H]2O)nc1)N1CCc2ccccc21
InChIInChI=1S/C20H23N3O2/c24-18-8-4-2-6-16(18)22-19-10-9-15(13-21-19)20(25)23-12-11-14-5-1-3-7-17(14)23/h1,3,5,7,9-10,13,16,18,24H,2,4,6,8,11-12H2,(H,21,22)/t16-,18-/m0/s1
InChIKeyNXAPGCNWXHLFNO-WMZOPIPTSA-N
XLogP3.00
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone with MolForge

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Related Compounds

1-cyclopropyl-4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133357440
2,3-dihydroindol-1-yl-[6-(6-oxaspiro[4.5]decan-9-ylamino)-3-pyridinyl]methanone
CID 127597666
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
[6-[[cyclopropyl(phenyl)methyl]amino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133331613
2,3-dihydroindol-1-yl-[6-(1-oxaspiro[5.5]undecan-4-ylamino)-3-pyridinyl]methanone
CID 133378058
2,3-dihydroindol-1-yl-[6-[(2-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]methanone
CID 133439711
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)-3-pyridinyl]methanone
CID 62172128
2,3-dihydroindol-1-yl-[6-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-3-pyridinyl]methanone
CID 133376182
6-[(2-hydroxycyclohexyl)amino]pyridine-3-carboxamide
CID 79033721
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
[6-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109162542
2,3-dihydroindol-1-yl-[6-[2-(3-methylmorpholin-4-yl)propylamino]-3-pyridinyl]methanone
CID 133302712

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone (CID 97017175) is 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone is O=C(c1ccc(N[C@H]2CCCC[C@@H]2O)nc1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone?
The InChIKey is NXAPGCNWXHLFNO-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-18-8-4-2-6-16(18)22-19-10-9-15(13-21-19)20(25)23-12-11-14-5-1-3-7-17(14)23/h1,3,5,7,9-10,13,16,18,24H,2,4,6,8,11-12H2,(H,21,22)/t16-,18-/m0/s1.
What are the key properties of 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-pyridinyl]methanone is sourced from PubChem (CID 97017175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).