[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

C20H29N3O2 — CID 129447569

IUPAC[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O
InChIInChI=1S/C20H29N3O2/c24-19-8-2-1-6-16(19)18-7-5-13-23(18)20(25)17-14-15(9-10-21-17)22-11-3-4-12-22/h9-10,14,16,18-19,24H,1-8,11-13H2/t16-,18-,19-/m1/s1
InChIKeyQTJKGRXYJAOWLF-BHIYHBOVSA-N
MW343.47 g/mol
LogP2.84
Rot. Bonds3

About [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone

[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (PubChem CID 129447569) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
PubChem CID129447569
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
SMILESO=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O
InChIInChI=1S/C20H29N3O2/c24-19-8-2-1-6-16(19)18-7-5-13-23(18)20(25)17-14-15(9-10-21-17)22-11-3-4-12-22/h9-10,14,16,18-19,24H,1-8,11-13H2/t16-,18-,19-/m1/s1
InChIKeyQTJKGRXYJAOWLF-BHIYHBOVSA-N
XLogP2.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone 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 [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The IUPAC name of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone (CID 129447569) is [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is O=C(c1cc(N2CCCC2)ccn1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O.
What is the InChIKey of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
The InChIKey is QTJKGRXYJAOWLF-BHIYHBOVSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19-8-2-1-6-16(19)18-7-5-13-23(18)20(25)17-14-15(9-10-21-17)22-11-3-4-12-22/h9-10,14,16,18-19,24H,1-8,11-13H2/t16-,18-,19-/m1/s1.
What are the key properties of [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone?
[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(4-pyrrolidin-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 129447569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).