2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine

C23H25N3O — CID 95817922

IUPAC2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESCOc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C23H25N3O/c1-27-23-12-3-2-8-19(23)15-20-9-4-10-21(25-20)22-11-6-14-26(22)17-18-7-5-13-24-16-18/h2-5,7-10,12-13,16,22H,6,11,14-15,17H2,1H3/t22-/m1/s1
InChIKeyCUIORXNRBQVEAD-JOCHJYFZSA-N
MW359.47 g/mol
LogP4.41
Rot. Bonds6

About 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine

2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine (PubChem CID 95817922) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
PubChem CID95817922
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESCOc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C23H25N3O/c1-27-23-12-3-2-8-19(23)15-20-9-4-10-21(25-20)22-11-6-14-26(22)17-18-7-5-13-24-16-18/h2-5,7-10,12-13,16,22H,6,11,14-15,17H2,1H3/t22-/m1/s1
InChIKeyCUIORXNRBQVEAD-JOCHJYFZSA-N
XLogP4.41
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817914
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195
N-cyclohexyl-2-[(2R)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817932
N-cyclohexyl-2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95817931
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
[2-[(2-methoxyphenyl)methyl]-4-pyridinyl]-[(2S)-2-[6-(3-methylimidazol-4-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124999504
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine (CID 95817922) is 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine is COc1ccccc1Cc1cccc([C@H]2CCCN2Cc2cccnc2)n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is CUIORXNRBQVEAD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O/c1-27-23-12-3-2-8-19(23)15-20-9-4-10-21(25-20)22-11-6-14-26(22)17-18-7-5-13-24-16-18/h2-5,7-10,12-13,16,22H,6,11,14-15,17H2,1H3/t22-/m1/s1.
What are the key properties of 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 359.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95817922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).