2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine

C23H25N3 — CID 95817914

IUPAC2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESCc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1
InChIInChI=1S/C23H25N3/c1-18-9-11-19(12-10-18)15-21-6-2-7-22(25-21)23-8-4-14-26(23)17-20-5-3-13-24-16-20/h2-3,5-7,9-13,16,23H,4,8,14-15,17H2,1H3/t23-/m1/s1
InChIKeyUPVLEXGNBMIXTI-HSZRJFAPSA-N
MW343.47 g/mol
LogP4.71
Rot. Bonds5

About 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine

2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine (PubChem CID 95817914) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
PubChem CID95817914
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
SMILESCc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1
InChIInChI=1S/C23H25N3/c1-18-9-11-19(12-10-18)15-21-6-2-7-22(25-21)23-8-4-14-26(23)17-20-5-3-13-24-16-20/h2-3,5-7,9-13,16,23H,4,8,14-15,17H2,1H3/t23-/m1/s1
InChIKeyUPVLEXGNBMIXTI-HSZRJFAPSA-N
XLogP4.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817922
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
N,N-dimethyl-2-[(2R)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95818189
cyclopentyl-[(2S)-2-[6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95818236
2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 110254681
2-benzyl-6-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyridine
CID 95809192
3-[[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]pyridine
CID 124992533
N-[4-[[2-[6-[(4-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 110254674
2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377
N-pyridin-2-yl-4-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-amine
CID 95837564
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 110256090

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine (CID 95817914) is 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine is Cc1ccc(Cc2cccc([C@H]3CCCN3Cc3cccnc3)n2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is UPVLEXGNBMIXTI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N3/c1-18-9-11-19(12-10-18)15-21-6-2-7-22(25-21)23-8-4-14-26(23)17-20-5-3-13-24-16-20/h2-3,5-7,9-13,16,23H,4,8,14-15,17H2,1H3/t23-/m1/s1.
What are the key properties of 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine?
2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 343.47 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-6-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95817914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).