2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile

C17H26N4O — CID 131922825

IUPAC2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCCCN2CCCC(CO)C2)nc1C
InChIInChI=1S/C17H26N4O/c1-13-9-16(10-18)17(20-14(13)2)19-6-4-8-21-7-3-5-15(11-21)12-22/h9,15,22H,3-8,11-12H2,1-2H3,(H,19,20)
InChIKeyRLIZPSLYIQQAGB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.08
Rot. Bonds6

About 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile

2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile (PubChem CID 131922825) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
PubChem CID131922825
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C#N)c(NCCCN2CCCC(CO)C2)nc1C
InChIInChI=1S/C17H26N4O/c1-13-9-16(10-18)17(20-14(13)2)19-6-4-8-21-7-3-5-15(11-21)12-22/h9,15,22H,3-8,11-12H2,1-2H3,(H,19,20)
InChIKeyRLIZPSLYIQQAGB-UHFFFAOYSA-N
XLogP2.08
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-6-propan-2-ylpyridine-3-carbonitrile
CID 131943032
[1-[3-[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]propyl]piperidin-3-yl]methanol
CID 72912546
[1-[3-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]piperidin-3-yl]methanol
CID 131919569
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 97189429
[1-[3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidin-3-yl]methanol
CID 131890059
N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-4-methylthiophene-2-sulfonamide
CID 131909580
[(3S)-1-[2-[[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]amino]ethyl]piperidin-3-yl]methanol
CID 171359901
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 131951666
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 126428240

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile (CID 131922825) is 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile is Cc1cc(C#N)c(NCCCN2CCCC(CO)C2)nc1C.
What is the InChIKey of 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RLIZPSLYIQQAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-9-16(10-18)17(20-14(13)2)19-6-4-8-21-7-3-5-15(11-21)12-22/h9,15,22H,3-8,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile?
2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile has a molecular weight of 302.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(hydroxymethyl)piperidin-1-yl]propylamino]-5,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 131922825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).