N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide

C28H32FN3O2 — CID 42864244

IUPACN-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C2CN(Cc3cccc(C)n3)CC2CN(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C28H32FN3O2/c1-20-5-4-6-26(30-20)18-31-16-24(28(19-31)23-9-13-27(34-3)14-10-23)17-32(21(2)33)15-22-7-11-25(29)12-8-22/h4-14,24,28H,15-19H2,1-3H3
InChIKeyBCOKXNHKLQMCSL-UHFFFAOYSA-N
MW461.58 g/mol
LogP4.80
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide

N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 42864244) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID42864244
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc(C2CN(Cc3cccc(C)n3)CC2CN(Cc2ccc(F)cc2)C(C)=O)cc1
InChIInChI=1S/C28H32FN3O2/c1-20-5-4-6-26(30-20)18-31-16-24(28(19-31)23-9-13-27(34-3)14-10-23)17-32(21(2)33)15-22-7-11-25(29)12-8-22/h4-14,24,28H,15-19H2,1-3H3
InChIKeyBCOKXNHKLQMCSL-UHFFFAOYSA-N
XLogP4.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[[(3S,4R)-1-(furan-2-ylmethyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 129426647
N-[[(3S,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92992817
N-[[(3R,4R)-1-[(4,5-dimethylfuran-2-yl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 92992816
4-fluoro-N-[[4-(4-fluorophenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 42864074
N-(2-methoxyethyl)-N-[[1-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 42870024
4-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 42864145
4-fluoro-N-[[1-[(2-hydroxyphenyl)methyl]-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864102
4-fluoro-N-[[4-(4-methoxyphenyl)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46063028
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42870385
N-[[1-[[4-(dimethylamino)phenyl]methyl]-4-(4-methylphenyl)pyrrolidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42864220
N-[[(3S,4R)-1-[(4-chlorophenyl)methyl]-4-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)acetamide
CID 129446757
4-fluoro-N-[[4-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42864009

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 42864244) is N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide is COc1ccc(C2CN(Cc3cccc(C)n3)CC2CN(Cc2ccc(F)cc2)C(C)=O)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is BCOKXNHKLQMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c1-20-5-4-6-26(30-20)18-31-16-24(28(19-31)23-9-13-27(34-3)14-10-23)17-32(21(2)33)15-22-7-11-25(29)12-8-22/h4-14,24,28H,15-19H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 461.58 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[[4-(4-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 42864244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).