2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

C14H20N4O — CID 66055442

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C14H20N4O/c1-10-4-5-11(7-15)14(16-10)18-9-13(19)6-12(18)8-17(2)3/h4-5,12-13,19H,6,8-9H2,1-3H3
InChIKeyNHOFBSJNXRHCRN-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.76
Rot. Bonds3

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 66055442) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID66055442
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CC(O)CC2CN(C)C)n1
InChIInChI=1S/C14H20N4O/c1-10-4-5-11(7-15)14(16-10)18-9-13(19)6-12(18)8-17(2)3/h4-5,12-13,19H,6,8-9H2,1-3H3
InChIKeyNHOFBSJNXRHCRN-UHFFFAOYSA-N
XLogP0.76
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 66055442) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CC(O)CC2CN(C)C)n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is NHOFBSJNXRHCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-4-5-11(7-15)14(16-10)18-9-13(19)6-12(18)8-17(2)3/h4-5,12-13,19H,6,8-9H2,1-3H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 66055442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).