dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol

C31H28N2O — CID 11419413

IUPACdinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1Cc1ccccn1
InChIInChI=1S/C31H28N2O/c34-31(27-16-14-23-8-1-3-10-25(23)20-27,28-17-15-24-9-2-4-11-26(24)21-28)30-13-7-19-33(30)22-29-12-5-6-18-32-29/h1-6,8-12,14-18,20-21,30,34H,7,13,19,22H2/t30-/m0/s1
InChIKeyGXYNQEKJTVUFQK-PMERELPUSA-N
MW444.58 g/mol
LogP6.29
Rot. Bonds5

About dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol

dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 11419413) has the molecular formula C31H28N2O and a molecular weight of 444.58 g/mol. Its IUPAC name is dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Namedinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID11419413
Molecular FormulaC31H28N2O
Molecular Weight444.58 g/mol
Exact Mass444.22
IUPAC Namedinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1Cc1ccccn1
InChIInChI=1S/C31H28N2O/c34-31(27-16-14-23-8-1-3-10-25(23)20-27,28-17-15-24-9-2-4-11-26(24)21-28)30-13-7-19-33(30)22-29-12-5-6-18-32-29/h1-6,8-12,14-18,20-21,30,34H,7,13,19,22H2/t30-/m0/s1
InChIKeyGXYNQEKJTVUFQK-PMERELPUSA-N
XLogP6.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanol
CID 94336697
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339030
2-pyridin-2-yl-6-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine
CID 132534708
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
4-fluoro-2,6-bis[[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]phenol
CID 102270483
[3-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 102788259
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
2-methyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579835
[(2S)-1-benzylpyrrolidin-2-yl]-dinaphthalen-1-ylmethanol
CID 53235722

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 11419413) is dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol is OC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)[C@@H]1CCCN1Cc1ccccn1.
What is the InChIKey of dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is GXYNQEKJTVUFQK-PMERELPUSA-N. The full InChI is InChI=1S/C31H28N2O/c34-31(27-16-14-23-8-1-3-10-25(23)20-27,28-17-15-24-9-2-4-11-26(24)21-28)30-13-7-19-33(30)22-29-12-5-6-18-32-29/h1-6,8-12,14-18,20-21,30,34H,7,13,19,22H2/t30-/m0/s1.
What are the key properties of dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol?
dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 444.58 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-yl-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 11419413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).