(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

C17H21N3O — CID 135099500

IUPAC(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)cc(C)n1
InChIInChI=1S/C17H21N3O/c1-12-7-16(8-13(2)19-12)20-10-15(17(21)11-20)9-14-3-5-18-6-4-14/h3-8,15,17,21H,9-11H2,1-2H3/t15-,17+/m1/s1
InChIKeyWWWHTCQZHXBCCU-WBVHZDCISA-N
MW283.38 g/mol
LogP2.13
Rot. Bonds3

About (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 135099500) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID135099500
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)cc(C)n1
InChIInChI=1S/C17H21N3O/c1-12-7-16(8-13(2)19-12)20-10-15(17(21)11-20)9-14-3-5-18-6-4-14/h3-8,15,17,21H,9-11H2,1-2H3/t15-,17+/m1/s1
InChIKeyWWWHTCQZHXBCCU-WBVHZDCISA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135110326
(3R,4R)-1-(6-chloro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155502098
(3S,4R)-1-(7-fluoro-4-methylquinolin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol;formic acid
CID 155972381
(3S,4R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135092467
(3S,4R)-1-(6-chloroquinolin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155909727
(7-fluoro-2-methylquinolin-4-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 155498674
(3R,4R)-4-(pyridin-4-ylmethyl)-1-[8-(trifluoromethyl)quinolin-4-yl]pyrrolidin-3-ol
CID 155918716
(3R,4R)-1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134701752
(3S,4R)-1-[(2-phenylpyrazol-3-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 155501184
(1,2-dimethylpyrrol-3-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135093804
(3R,4R)-1-[(3-methylsulfanylphenyl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134708803
2-N,6-dimethyl-4-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135114364

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 135099500) is (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is Cc1cc(N2C[C@@H](Cc3ccncc3)[C@@H](O)C2)cc(C)n1.
What is the InChIKey of (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is WWWHTCQZHXBCCU-WBVHZDCISA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-16(8-13(2)19-12)20-10-15(17(21)11-20)9-14-3-5-18-6-4-14/h3-8,15,17,21H,9-11H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 283.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2,6-dimethyl-4-pyridinyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 135099500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).