1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C20H24FN3O3S — CID 9285878

IUPAC1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1CN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H24FN3O3S/c21-17-5-3-16(4-6-17)13-22(18-7-8-18)15-23-14-19(9-10-20(23)25)28(26,27)24-11-1-2-12-24/h3-6,9-10,14,18H,1-2,7-8,11-13,15H2
InChIKeyCBEGFCDSSSGWFT-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.39
Rot. Bonds7

About 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 9285878) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID9285878
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1CN(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C20H24FN3O3S/c21-17-5-3-16(4-6-17)13-22(18-7-8-18)15-23-14-19(9-10-20(23)25)28(26,27)24-11-1-2-12-24/h3-6,9-10,14,18H,1-2,7-8,11-13,15H2
InChIKeyCBEGFCDSSSGWFT-UHFFFAOYSA-N
XLogP2.39
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(piperidin-4-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 166239396
2-[5-(azepan-1-ylsulfonyl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53170639
1-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 9193543
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 24571413
5-(azepan-1-ylsulfonyl)-1-benzylpyridin-2-one
CID 53170573
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
N,N-diethyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 53170602
3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285759
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
1-[2-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-thiomorpholin-4-ylsulfonylpyridin-2-one
CID 122508197

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 9285878) is 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1CN(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is CBEGFCDSSSGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c21-17-5-3-16(4-6-17)13-22(18-7-8-18)15-23-14-19(9-10-20(23)25)28(26,27)24-11-1-2-12-24/h3-6,9-10,14,18H,1-2,7-8,11-13,15H2.
What are the key properties of 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 405.50 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 9285878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).