6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile

C24H22N4O2 — CID 100899920

IUPAC6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C24H22N4O2/c25-13-16-9-10-21(26-22-17-7-3-1-5-14(17)11-19(22)29)27-24(16)28-23-18-8-4-2-6-15(18)12-20(23)30/h1-10,19-20,22-23,29-30H,11-12H2,(H2,26,27,28)/t19-,20-,22+,23-/m0/s1
InChIKeyLJFGTONDENPBRW-RLBLXZPPSA-N
MW398.47 g/mol
LogP3.09
Rot. Bonds4

About 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile

6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile (PubChem CID 100899920) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
PubChem CID100899920
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1N[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C24H22N4O2/c25-13-16-9-10-21(26-22-17-7-3-1-5-14(17)11-19(22)29)27-24(16)28-23-18-8-4-2-6-15(18)12-20(23)30/h1-10,19-20,22-23,29-30H,11-12H2,(H2,26,27,28)/t19-,20-,22+,23-/m0/s1
InChIKeyLJFGTONDENPBRW-RLBLXZPPSA-N
XLogP3.09
TPSA101.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
CID 166335295
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
3,5-difluoro-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]benzonitrile
CID 133447944
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile (CID 100899920) is 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)nc1N[C@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
The InChIKey is LJFGTONDENPBRW-RLBLXZPPSA-N. The full InChI is InChI=1S/C24H22N4O2/c25-13-16-9-10-21(26-22-17-7-3-1-5-14(17)11-19(22)29)27-24(16)28-23-18-8-4-2-6-15(18)12-20(23)30/h1-10,19-20,22-23,29-30H,11-12H2,(H2,26,27,28)/t19-,20-,22+,23-/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile?
6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile has a molecular weight of 398.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 100899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).