3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde

C18H20N2O2 — CID 121284214

IUPAC3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde
SMILESCN1CCC[C@@H]1COc1cccc(-c2cccc(C=O)c2)n1
InChIInChI=1S/C18H20N2O2/c1-20-10-4-7-16(20)13-22-18-9-3-8-17(19-18)15-6-2-5-14(11-15)12-21/h2-3,5-6,8-9,11-12,16H,4,7,10,13H2,1H3/t16-/m1/s1
InChIKeyYQOYFAONTOAMJI-MRXNPFEDSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds5

About 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde

3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde (PubChem CID 121284214) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde
PubChem CID121284214
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde
SMILESCN1CCC[C@@H]1COc1cccc(-c2cccc(C=O)c2)n1
InChIInChI=1S/C18H20N2O2/c1-20-10-4-7-16(20)13-22-18-9-3-8-17(19-18)15-6-2-5-14(11-15)12-21/h2-3,5-6,8-9,11-12,16H,4,7,10,13H2,1H3/t16-/m1/s1
InChIKeyYQOYFAONTOAMJI-MRXNPFEDSA-N
XLogP3.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-benzaldehyde
CID 44372132
2-(3-Furan-2-yl-phenylethynyl)-6-methyl-pyridine
CID 44392408
Methyl 5-(furan-2-yl)-1-[(3-methylphenyl)methyl]pyrrole-2-carboxylate
CID 9550529
methyl 1-[(2,5-dimethylphenyl)methyl]-5-(furan-2-yl)-1H-pyrrole-2-carboxylate
CID 9550648
2-(6-(2,6-Dimethylphenyl)pyridin-2-yloxy)-N,Ndimethylethanamine
CID 46233351
2-[2-(2-Furyl)-3,5-diphenyl-pyrrol-1-yl]-4-methyl-pentanoic acid
CID 118709995
2-(Furan-2-yl)-6-phenylpyridine
CID 15423029
2-[2-(2-Furyl)-3,5-diphenyl-pyrrol-1-yl]acetic acid
CID 118709993
2-[2-(2-Furyl)-3,5-diphenyl-pyrrol-1-yl]-3-methyl-butanoic acid
CID 118709994
Ethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 162657969
2-Ethoxy-6-[4-(propan-2-YL)benzoyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 91917832
1-(2-Ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridin-6-YL)-2-(3-methylphenyl)ethan-1-one
CID 91917872

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde?
The IUPAC name of 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde (CID 121284214) is 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde.
What is the SMILES notation for 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde?
The canonical SMILES for 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde is CN1CCC[C@@H]1COc1cccc(-c2cccc(C=O)c2)n1.
What is the InChIKey of 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde?
The InChIKey is YQOYFAONTOAMJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-10-4-7-16(20)13-22-18-9-3-8-17(19-18)15-6-2-5-14(11-15)12-21/h2-3,5-6,8-9,11-12,16H,4,7,10,13H2,1H3/t16-/m1/s1.
What are the key properties of 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde?
3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde has a molecular weight of 296.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde is sourced from PubChem (CID 121284214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).