(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol

C21H27N3O — CID 157026032

IUPAC(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESCN1CC(C)(C(O)(c2ccccc2)c2cncc(N3CCCC3)c2)C1
InChIInChI=1S/C21H27N3O/c1-20(15-23(2)16-20)21(25,17-8-4-3-5-9-17)18-12-19(14-22-13-18)24-10-6-7-11-24/h3-5,8-9,12-14,25H,6-7,10-11,15-16H2,1-2H3
InChIKeyYIVDPNZPUJALQG-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.87
Rot. Bonds4

About (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol

(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol (PubChem CID 157026032) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
PubChem CID157026032
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESCN1CC(C)(C(O)(c2ccccc2)c2cncc(N3CCCC3)c2)C1
InChIInChI=1S/C21H27N3O/c1-20(15-23(2)16-20)21(25,17-8-4-3-5-9-17)18-12-19(14-22-13-18)24-10-6-7-11-24/h3-5,8-9,12-14,25H,6-7,10-11,15-16H2,1-2H3
InChIKeyYIVDPNZPUJALQG-UHFFFAOYSA-N
XLogP2.87
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The IUPAC name of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol (CID 157026032) is (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The canonical SMILES for (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol is CN1CC(C)(C(O)(c2ccccc2)c2cncc(N3CCCC3)c2)C1.
What is the InChIKey of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The InChIKey is YIVDPNZPUJALQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-20(15-23(2)16-20)21(25,17-8-4-3-5-9-17)18-12-19(14-22-13-18)24-10-6-7-11-24/h3-5,8-9,12-14,25H,6-7,10-11,15-16H2,1-2H3.
What are the key properties of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol has a molecular weight of 337.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 157026032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).