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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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).