5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile

C15H23N5O — CID 99857839

IUPAC5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile
SMILESCN1CCN(C[C@@H](O)CN(C)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H23N5O/c1-18-5-7-20(8-6-18)12-15(21)11-19(2)14-4-3-13(9-16)17-10-14/h3-4,10,15,21H,5-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyKLIMBLJYAXEKPD-HNNXBMFYSA-N
MW289.38 g/mol
LogP-0.00
Rot. Bonds5

About 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile

5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile (PubChem CID 99857839) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile
PubChem CID99857839
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile
SMILESCN1CCN(C[C@@H](O)CN(C)c2ccc(C#N)nc2)CC1
InChIInChI=1S/C15H23N5O/c1-18-5-7-20(8-6-18)12-15(21)11-19(2)14-4-3-13(9-16)17-10-14/h3-4,10,15,21H,5-8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyKLIMBLJYAXEKPD-HNNXBMFYSA-N
XLogP-0.00
TPSA66.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]-2-nitrobenzonitrile
CID 86805517
5-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 113320538
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
(2S)-1-[methyl-(2-phenylpyrimidin-4-yl)amino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 95620513
1-(4-methylpiperazin-1-yl)-3-[methyl-(2,3,5,6-tetrafluoro-4-pyridinyl)amino]propan-2-ol
CID 133372632
4-[ethyl(methyl)amino]-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylbenzamide
CID 111695269
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-2-carbonitrile
CID 113320651
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-[2-fluoro-6-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]phenyl]ethanone
CID 86818346
(2R)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658986
(2S)-1-(N,3-dimethyl-2-nitroanilino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 100658997
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile (CID 99857839) is 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile is CN1CCN(C[C@@H](O)CN(C)c2ccc(C#N)nc2)CC1.
What is the InChIKey of 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile?
The InChIKey is KLIMBLJYAXEKPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-18-5-7-20(8-6-18)12-15(21)11-19(2)14-4-3-13(9-16)17-10-14/h3-4,10,15,21H,5-8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile?
5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 99857839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).