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

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Related Compounds

2-bromo-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 107276480
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054592
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 66052380
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]benzonitrile
CID 102816732
1-(2-aminopyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856576
5-[(dimethylamino)methyl]-1-(3-nitro-2-pyridinyl)pyrrolidin-3-ol
CID 66053376
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-5-fluorobenzonitrile
CID 102816733
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906821
5-[(dimethylamino)methyl]-1-(1-methylimidazo[4,5-c]pyridin-4-yl)pyrrolidin-3-ol
CID 103386171
5-[(dimethylamino)methyl]-1-(6-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 66052604
1-(6-amino-2-methylpyrimidin-4-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 80856423
5-[(dimethylamino)methyl]-1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80856272

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).