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

C23H30FN3O — CID 110264862

IUPACN,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cc(Cc3ccc(F)cc3)cc(C)n2)C1
InChIInChI=1S/C23H30FN3O/c1-4-27(5-2)23(28)16-26-11-10-20(15-26)22-14-19(12-17(3)25-22)13-18-6-8-21(24)9-7-18/h6-9,12,14,20H,4-5,10-11,13,15-16H2,1-3H3
InChIKeyLKYUGUACHBGOCL-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.78
Rot. Bonds7

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

N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide (PubChem CID 110264862) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
PubChem CID110264862
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC NameN,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC(c2cc(Cc3ccc(F)cc3)cc(C)n2)C1
InChIInChI=1S/C23H30FN3O/c1-4-27(5-2)23(28)16-26-11-10-20(15-26)22-14-19(12-17(3)25-22)13-18-6-8-21(24)9-7-18/h6-9,12,14,20H,4-5,10-11,13,15-16H2,1-3H3
InChIKeyLKYUGUACHBGOCL-UHFFFAOYSA-N
XLogP3.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95834730
N,N-diethyl-2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127251415
[2-(dimethylamino)-6-methylpyrimidin-4-yl]-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252773
4-[2-[(3R)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 95814535
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
1-[(3R)-3-[6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 95834685
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 127251417
3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
CID 110264875
N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
N,N-diethyl-2-[4-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093095

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide (CID 110264862) is N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(c2cc(Cc3ccc(F)cc3)cc(C)n2)C1.
What is the InChIKey of N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide?
The InChIKey is LKYUGUACHBGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-4-27(5-2)23(28)16-26-11-10-20(15-26)22-14-19(12-17(3)25-22)13-18-6-8-21(24)9-7-18/h6-9,12,14,20H,4-5,10-11,13,15-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide?
N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide has a molecular weight of 383.51 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 110264862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).