6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C14H20N4O — CID 70708398

IUPAC6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO
InChIInChI=1S/C14H20N4O/c1-17(2)7-11-8-18(9-12(11)10-19)14-5-3-4-13(6-15)16-14/h3-5,11-12,19H,7-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyKZAZSGZIZXKVGJ-VXGBXAGGSA-N
MW260.34 g/mol
LogP0.56
Rot. Bonds4

About 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 70708398) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID70708398
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCN(C)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO
InChIInChI=1S/C14H20N4O/c1-17(2)7-11-8-18(9-12(11)10-19)14-5-3-4-13(6-15)16-14/h3-5,11-12,19H,7-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyKZAZSGZIZXKVGJ-VXGBXAGGSA-N
XLogP0.56
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 70708398) is 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is CN(C)C[C@@H]1CN(c2cccc(C#N)n2)C[C@@H]1CO.
What is the InChIKey of 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is KZAZSGZIZXKVGJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)7-11-8-18(9-12(11)10-19)14-5-3-4-13(6-15)16-14/h3-5,11-12,19H,7-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-[(dimethylamino)methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 70708398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).