3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C11H14N4O — CID 103468973

IUPAC3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(CO)C2)ccc1N
InChIInChI=1S/C11H14N4O/c12-5-10-9(13)1-2-11(14-10)15-4-3-8(6-15)7-16/h1-2,8,16H,3-4,6-7,13H2
InChIKeyZSRVPIGLHSEKLG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.35
Rot. Bonds2

About 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 103468973) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID103468973
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(CO)C2)ccc1N
InChIInChI=1S/C11H14N4O/c12-5-10-9(13)1-2-11(14-10)15-4-3-8(6-15)7-16/h1-2,8,16H,3-4,6-7,13H2
InChIKeyZSRVPIGLHSEKLG-UHFFFAOYSA-N
XLogP0.35
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-amino-6-cyano-2-pyridinyl)piperidin-4-yl]acetamide
CID 103467985
3-amino-6-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 103468387
3-amino-6-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carbonitrile
CID 103468676
3-amino-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 103467207
[1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-3-yl]methanol
CID 43590236
3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 112624077
6-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridine-3-carboxylic acid
CID 112625893
3-[1-(6-cyano-5-nitro-2-pyridinyl)pyrrolidin-3-yl]propanoic acid
CID 103470056
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
2-amino-5-[4-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 115499065
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796899

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 103468973) is 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1nc(N2CCC(CO)C2)ccc1N.
What is the InChIKey of 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is ZSRVPIGLHSEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-10-9(13)1-2-11(14-10)15-4-3-8(6-15)7-16/h1-2,8,16H,3-4,6-7,13H2.
What are the key properties of 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 103468973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).