N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C26H26FN3O3 — CID 124999499

IUPACN-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ccn1
InChIInChI=1S/C26H26FN3O3/c1-18(31)29-16-23-14-20(11-12-28-23)25-6-3-13-30(25)26(32)21-4-2-5-24(15-21)33-17-19-7-9-22(27)10-8-19/h2,4-5,7-12,14-15,25H,3,6,13,16-17H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyRPFASUBYDCYEQW-VWLOTQADSA-N
MW447.51 g/mol
LogP4.41
Rot. Bonds7

About N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 124999499) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID124999499
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ccn1
InChIInChI=1S/C26H26FN3O3/c1-18(31)29-16-23-14-20(11-12-28-23)25-6-3-13-30(25)26(32)21-4-2-5-24(15-21)33-17-19-7-9-22(27)10-8-19/h2,4-5,7-12,14-15,25H,3,6,13,16-17H2,1H3,(H,29,31)/t25-/m0/s1
InChIKeyRPFASUBYDCYEQW-VWLOTQADSA-N
XLogP4.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2R)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124999498
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-[3-[(3-fluorophenyl)methoxy]phenyl]methanone
CID 124952617
N-[[4-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095597
N-[[4-[(2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124969908
N-[[4-[(2S)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125010340
N-[[4-[(2S)-1-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124986856
N-[[4-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107927
N-[[4-[1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095748
N-[[4-[(2R)-1-[2-(2-methylphenyl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124971837
N-[[4-[1-(2-thiophen-2-ylacetyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095732
N-[[4-[1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110095760
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 124999499) is N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc([C@@H]2CCCN2C(=O)c2cccc(OCc3ccc(F)cc3)c2)ccn1.
What is the InChIKey of N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is RPFASUBYDCYEQW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18(31)29-16-23-14-20(11-12-28-23)25-6-3-13-30(25)26(32)21-4-2-5-24(15-21)33-17-19-7-9-22(27)10-8-19/h2,4-5,7-12,14-15,25H,3,6,13,16-17H2,1H3,(H,29,31)/t25-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 447.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 124999499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).