(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol

C19H24N4O2 — CID 15137754

IUPAC(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
SMILES[H]/N=c1\ccc([C@@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)cn1O
InChIInChI=1S/C19H24N4O2/c1-19(2,9-14-10-21-16-6-4-3-5-15(14)16)22-11-17(24)13-7-8-18(20)23(25)12-13/h3-8,10,12,17,20-22,24-25H,9,11H2,1-2H3/b20-18+/t17-/m0/s1
InChIKeyZNOJZMBKIQREAX-DMEQXSTQSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds6

About (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol

(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol (PubChem CID 15137754) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
PubChem CID15137754
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol
SMILES[H]/N=c1\ccc([C@@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)cn1O
InChIInChI=1S/C19H24N4O2/c1-19(2,9-14-10-21-16-6-4-3-5-15(14)16)22-11-17(24)13-7-8-18(20)23(25)12-13/h3-8,10,12,17,20-22,24-25H,9,11H2,1-2H3/b20-18+/t17-/m0/s1
InChIKeyZNOJZMBKIQREAX-DMEQXSTQSA-N
XLogP2.33
TPSA97.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[2-hydroxy-5-[1-hydroxy-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
CID 21325148
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-phenoxypropan-2-ol
CID 12619618
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 12619640
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-pentoxypropan-2-ol
CID 70500153
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 12619630
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(3-methylphenoxy)propan-2-ol
CID 23330538
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]acetamide
CID 113086281
[1-[(2-hydroxy-2-phenylethyl)amino]-3-(1H-indol-3-yl)-2-methylpropan-2-yl]carbamic acid
CID 150605299
2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]pyridine-3-carbonitrile
CID 154094807
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
2-(1H-indol-3-yl)ethane-1,1-diol
CID 21400411
3-ethyl-1-(1H-indol-3-ylmethylamino)pentan-2-ol
CID 106284510

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
The IUPAC name of (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol (CID 15137754) is (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol is [H]/N=c1\ccc([C@@H](O)CNC(C)(C)Cc2c[nH]c3ccccc23)cn1O.
What is the InChIKey of (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
The InChIKey is ZNOJZMBKIQREAX-DMEQXSTQSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,9-14-10-21-16-6-4-3-5-15(14)16)22-11-17(24)13-7-8-18(20)23(25)12-13/h3-8,10,12,17,20-22,24-25H,9,11H2,1-2H3/b20-18+/t17-/m0/s1.
What are the key properties of (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol?
(1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol has a molecular weight of 340.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-hydroxy-6-imino-3-pyridinyl)-2-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 15137754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).