(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C16H19N3O — CID 134709218

IUPAC(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cccnc2)C[C@H]1Cc1ccncc1
InChIInChI=1S/C16H19N3O/c20-16-12-19(10-14-2-1-5-18-9-14)11-15(16)8-13-3-6-17-7-4-13/h1-7,9,15-16,20H,8,10-12H2/t15-,16+/m1/s1
InChIKeyHXKGAUQAIKQNEM-CVEARBPZSA-N
MW269.35 g/mol
LogP1.51
Rot. Bonds4

About (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134709218) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134709218
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cccnc2)C[C@H]1Cc1ccncc1
InChIInChI=1S/C16H19N3O/c20-16-12-19(10-14-2-1-5-18-9-14)11-15(16)8-13-3-6-17-7-4-13/h1-7,9,15-16,20H,8,10-12H2/t15-,16+/m1/s1
InChIKeyHXKGAUQAIKQNEM-CVEARBPZSA-N
XLogP1.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(4-pyridin-3-ylphenyl)methyl]pyrrolidin-3-ol
CID 162626048
(3S,4R)-1-(isoquinolin-5-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 162635956
(3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134708803
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135113029
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
(3S,4R)-1-[(2-phenylpyrazol-3-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155501184
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 114510870
(3R,4R)-1-(1-benzylpiperidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134704934
(3R,4R)-1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134701752
(3S,4R)-4-(pyridin-4-ylmethyl)-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-ol
CID 134707152
(3S,4R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135090297
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 134709218) is (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is O[C@H]1CN(Cc2cccnc2)C[C@H]1Cc1ccncc1.
What is the InChIKey of (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is HXKGAUQAIKQNEM-CVEARBPZSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-12-19(10-14-2-1-5-18-9-14)11-15(16)8-13-3-6-17-7-4-13/h1-7,9,15-16,20H,8,10-12H2/t15-,16+/m1/s1.
What are the key properties of (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 269.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134709218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).