6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile

C18H25N3O — CID 129491578

IUPAC6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)nc1C#N
InChIInChI=1S/C18H25N3O/c1-13-8-9-17(20-15(13)12-19)21-11-5-7-16(21)14-6-3-4-10-18(14,2)22/h8-9,14,16,22H,3-7,10-11H2,1-2H3/t14-,16-,18-/m1/s1
InChIKeyYFVLXZPQWXKPKU-QGPMSJSTSA-N
MW299.42 g/mol
LogP3.17
Rot. Bonds2

About 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile

6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile (PubChem CID 129491578) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
PubChem CID129491578
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
SMILESCc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)nc1C#N
InChIInChI=1S/C18H25N3O/c1-13-8-9-17(20-15(13)12-19)21-11-5-7-16(21)14-6-3-4-10-18(14,2)22/h8-9,14,16,22H,3-7,10-11H2,1-2H3/t14-,16-,18-/m1/s1
InChIKeyYFVLXZPQWXKPKU-QGPMSJSTSA-N
XLogP3.17
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile?
The IUPAC name of 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile (CID 129491578) is 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile?
The canonical SMILES for 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile is Cc1ccc(N2CCC[C@@H]2[C@H]2CCCC[C@@]2(C)O)nc1C#N.
What is the InChIKey of 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile?
The InChIKey is YFVLXZPQWXKPKU-QGPMSJSTSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-8-9-17(20-15(13)12-19)21-11-5-7-16(21)14-6-3-4-10-18(14,2)22/h8-9,14,16,22H,3-7,10-11H2,1-2H3/t14-,16-,18-/m1/s1.
What are the key properties of 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile?
6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile has a molecular weight of 299.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile is sourced from PubChem (CID 129491578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).