2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile

C11H14N4O — CID 74885215

IUPAC2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCOC1CNCC1Nc1ncccc1C#N
InChIInChI=1S/C11H14N4O/c1-16-10-7-13-6-9(10)15-11-8(5-12)3-2-4-14-11/h2-4,9-10,13H,6-7H2,1H3,(H,14,15)
InChIKeyHJEAINYIXJTBCE-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.35
Rot. Bonds3

About 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile

2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 74885215) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID74885215
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile
SMILESCOC1CNCC1Nc1ncccc1C#N
InChIInChI=1S/C11H14N4O/c1-16-10-7-13-6-9(10)15-11-8(5-12)3-2-4-14-11/h2-4,9-10,13H,6-7H2,1H3,(H,14,15)
InChIKeyHJEAINYIXJTBCE-UHFFFAOYSA-N
XLogP0.35
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

6-((2-((2-((2S)-2-Cyano-1-pyrrolidinyl)-2-oxoethyl)amino)ethyl)amino)-3-pyridinecarbonitrile
CID 9796290
6-(1,4-Diazepan-1-yl)nicotinonitrile
CID 2747101
6-{2-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-2-methyl-propylamino}-nicotinonitrile
CID 11045633
6-{3-[2-(2-Cyano-pyrrolidin-1-yl)-2-oxo-ethylamino]-propylamino}-nicotinonitrile
CID 11809137
6-(Ethylamino)-3-pyridinecarbonitrile
CID 24701445
US11370784, Example 66
CID 134418925
2-[(2-Aminoethyl)amino]pyridine-3-carbonitrile
CID 16767894
2-[(2-Hydroxyethyl)amino]pyridine-3-carbonitrile
CID 17860931
(R)-6-((2-((2-(2-Cyanopyrrolidin-1-yl)-2-oxoethyl)amino)ethyl)amino)nicotinonitrile
CID 9796291
US11084821, Example 27
CID 142314560
6-[(2-Aminoethyl)amino]pyridine-3-carbonitrile
CID 11369405
2-(Cyclopropylamino)nicotinonitrile
CID 11513793

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile (CID 74885215) is 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile is COC1CNCC1Nc1ncccc1C#N.
What is the InChIKey of 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HJEAINYIXJTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-10-7-13-6-9(10)15-11-8(5-12)3-2-4-14-11/h2-4,9-10,13H,6-7H2,1H3,(H,14,15).
What are the key properties of 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrrolidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 74885215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).