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

C20H24FN3O2 — CID 110107831

IUPACN-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCOc1ccc(CN2CCCC2c2cccc(CNC(C)=O)n2)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-14(25)22-12-16-5-3-6-19(23-16)20-7-4-10-24(20)13-15-8-9-17(26-2)11-18(15)21/h3,5-6,8-9,11,20H,4,7,10,12-13H2,1-2H3,(H,22,25)
InChIKeyCCCYPTYEEQWKHR-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.20
Rot. Bonds6

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

N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 110107831) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID110107831
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCOc1ccc(CN2CCCC2c2cccc(CNC(C)=O)n2)c(F)c1
InChIInChI=1S/C20H24FN3O2/c1-14(25)22-12-16-5-3-6-19(23-16)20-7-4-10-24(20)13-15-8-9-17(26-2)11-18(15)21/h3,5-6,8-9,11,20H,4,7,10,12-13H2,1-2H3,(H,22,25)
InChIKeyCCCYPTYEEQWKHR-UHFFFAOYSA-N
XLogP3.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-[(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124968382
N-[[6-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124996366
2-[[2-[6-(acetamidomethyl)-2-pyridinyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 110107808
N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095760
N-[[6-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125007878
N-[[6-[(2S)-1-(1H-indol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125019695
N-[[6-[1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095794
N-[[6-[(2S)-1-[(1-propylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124940019
N-[[6-[(2S)-1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124974894
N-[[6-[1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095581
3-[6-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258268
N-[[6-[(2R)-1-cyclohexylpyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124964524

Frequently Asked Questions

What is the IUPAC name of N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 110107831) is N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is COc1ccc(CN2CCCC2c2cccc(CNC(C)=O)n2)c(F)c1.
What is the InChIKey of N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is CCCYPTYEEQWKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14(25)22-12-16-5-3-6-19(23-16)20-7-4-10-24(20)13-15-8-9-17(26-2)11-18(15)21/h3,5-6,8-9,11,20H,4,7,10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 357.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 110107831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).