2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile

C13H17N3O — CID 114766561

IUPAC2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C13H17N3O/c1-9-5-11(7-14)6-13(15-9)16-4-3-12(8-16)10(2)17/h5-6,10,12,17H,3-4,8H2,1-2H3
InChIKeyLBEONNJOHSNCFJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds2

About 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile

2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile (PubChem CID 114766561) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
PubChem CID114766561
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C13H17N3O/c1-9-5-11(7-14)6-13(15-9)16-4-3-12(8-16)10(2)17/h5-6,10,12,17H,3-4,8H2,1-2H3
InChIKeyLBEONNJOHSNCFJ-UHFFFAOYSA-N
XLogP1.47
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629787
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
2-(4-butan-2-ylpiperazin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766208
2-(2-ethylthiomorpholin-4-yl)-6-methylpyridine-4-carbonitrile
CID 114766685
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
1-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629777
1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629715
2-methyl-6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 113417713

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile (CID 114766561) is 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N2CCC(C(C)O)C2)n1.
What is the InChIKey of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
The InChIKey is LBEONNJOHSNCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-5-11(7-14)6-13(15-9)16-4-3-12(8-16)10(2)17/h5-6,10,12,17H,3-4,8H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile?
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).