2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile

C19H21N5O — CID 19826090

IUPAC2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile
SMILESCC(Cc1c[nH]c2ccccc12)NCC(O)c1cnc(N)c(C#N)c1
InChIInChI=1S/C19H21N5O/c1-12(6-14-9-23-17-5-3-2-4-16(14)17)22-11-18(25)15-7-13(8-20)19(21)24-10-15/h2-5,7,9-10,12,18,22-23,25H,6,11H2,1H3,(H2,21,24)
InChIKeyZFEDQBGMXQRWLA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.27
Rot. Bonds6

About 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile

2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile (PubChem CID 19826090) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile
PubChem CID19826090
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile
SMILESCC(Cc1c[nH]c2ccccc12)NCC(O)c1cnc(N)c(C#N)c1
InChIInChI=1S/C19H21N5O/c1-12(6-14-9-23-17-5-3-2-4-16(14)17)22-11-18(25)15-7-13(8-20)19(21)24-10-15/h2-5,7,9-10,12,18,22-23,25H,6,11H2,1H3,(H2,21,24)
InChIKeyZFEDQBGMXQRWLA-UHFFFAOYSA-N
XLogP2.27
TPSA110.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[(1R)-1-hydroxy-2-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]ethyl]pyridine-3-carbonitrile
CID 15137762
1-(6-amino-3-pyridinyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 19826093
1-(3-chlorophenyl)-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethanol
CID 11324939
2-[1-(1H-indol-3-yl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 139750798
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
N-[2-hydroxy-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]phenyl]methanesulfonamide
CID 139699356
N'-[1-(1H-indol-3-yl)propan-2-yl]ethane-1,2-diamine
CID 3497526
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methylidenebutan-1-amine
CID 138643387
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-[1-(6-bromo-1H-indol-3-yl)propan-2-ylamino]-1-(3-chlorophenyl)ethanol
CID 11189002
5-[2-[[2-(6-amino-5-cyano-3-pyridinyl)-2-hydroxyethyl]amino]propyl]-1-[[3-(methylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid
CID 54203454

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile (CID 19826090) is 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile is CC(Cc1c[nH]c2ccccc12)NCC(O)c1cnc(N)c(C#N)c1.
What is the InChIKey of 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile?
The InChIKey is ZFEDQBGMXQRWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12(6-14-9-23-17-5-3-2-4-16(14)17)22-11-18(25)15-7-13(8-20)19(21)24-10-15/h2-5,7,9-10,12,18,22-23,25H,6,11H2,1H3,(H2,21,24).
What are the key properties of 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile?
2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-hydroxy-2-[1-(1H-indol-3-yl)propan-2-ylamino]ethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 19826090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).