6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile

C14H17N3O — CID 72908914

IUPAC6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@]1(O)C1CC1
InChIInChI=1S/C14H17N3O/c1-10-8-17(9-14(10,18)12-3-4-12)13-5-2-11(6-15)7-16-13/h2,5,7,10,12,18H,3-4,8-9H2,1H3/t10-,14+/m1/s1
InChIKeyJVXRRTKBJUJIKY-YGRLFVJLSA-N
MW243.31 g/mol
LogP1.55
Rot. Bonds2

About 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile

6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 72908914) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID72908914
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@]1(O)C1CC1
InChIInChI=1S/C14H17N3O/c1-10-8-17(9-14(10,18)12-3-4-12)13-5-2-11(6-15)7-16-13/h2,5,7,10,12,18H,3-4,8-9H2,1H3/t10-,14+/m1/s1
InChIKeyJVXRRTKBJUJIKY-YGRLFVJLSA-N
XLogP1.55
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile (CID 72908914) is 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile is C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@]1(O)C1CC1.
What is the InChIKey of 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JVXRRTKBJUJIKY-YGRLFVJLSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-17(9-14(10,18)12-3-4-12)13-5-2-11(6-15)7-16-13/h2,5,7,10,12,18H,3-4,8-9H2,1H3/t10-,14+/m1/s1.
What are the key properties of 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 72908914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).