3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

C11H14N4O — CID 112624077

IUPAC3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(CO)C2)c1N
InChIInChI=1S/C11H14N4O/c12-5-9-1-3-14-11(10(9)13)15-4-2-8(6-15)7-16/h1,3,8,16H,2,4,6-7,13H2
InChIKeyRGLRMZYIQHWTMQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.35
Rot. Bonds2

About 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 112624077) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID112624077
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC(CO)C2)c1N
InChIInChI=1S/C11H14N4O/c12-5-9-1-3-14-11(10(9)13)15-4-2-8(6-15)7-16/h1,3,8,16H,2,4,6-7,13H2
InChIKeyRGLRMZYIQHWTMQ-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

3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 82812744
3-amino-2-(4-propylazepan-1-yl)pyridine-4-carbonitrile
CID 82812738
3-amino-2-[2-(hydroxymethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 82817295
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78998870
[1-(3-chloro-4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 166915934
3-amino-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-4-carbonitrile
CID 82812732
3-amino-6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 103468973
2-(3-aminopyrrolidin-1-yl)-3-nitropyridine-4-carbonitrile
CID 82813337
3-amino-2-(4-butan-2-ylpiperazin-1-yl)pyridine-4-carbonitrile
CID 82817239
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 82812928
5-amino-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 103467481
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile
CID 82813269

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (CID 112624077) is 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC(CO)C2)c1N.
What is the InChIKey of 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is RGLRMZYIQHWTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-5-9-1-3-14-11(10(9)13)15-4-2-8(6-15)7-16/h1,3,8,16H,2,4,6-7,13H2.
What are the key properties of 3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
3-amino-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-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-2-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 112624077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).