5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

C24H29ClFN5O4S — CID 54670712

IUPAC5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(N2CCC(N3CC[C@H](Nc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)c(Cl)c1
InChIInChI=1S/C24H29ClFN5O4S/c1-29(2)23(32)15-12-18(25)22(27-14-15)30-9-6-16(7-10-30)31-11-8-21(24(31)33)28-20-5-4-17(13-19(20)26)36(3,34)35/h4-5,12-14,16,21,28H,6-11H2,1-3H3/t21-/m0/s1
InChIKeyOGQBGSPBXBXRCG-NRFANRHFSA-N
MW538.05 g/mol
LogP2.66
Rot. Bonds6

About 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide

5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 54670712) has the molecular formula C24H29ClFN5O4S and a molecular weight of 538.05 g/mol. Its IUPAC name is 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID54670712
Molecular FormulaC24H29ClFN5O4S
Molecular Weight538.05 g/mol
Exact Mass537.16
IUPAC Name5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc(N2CCC(N3CC[C@H](Nc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)c(Cl)c1
InChIInChI=1S/C24H29ClFN5O4S/c1-29(2)23(32)15-12-18(25)22(27-14-15)30-9-6-16(7-10-30)31-11-8-21(24(31)33)28-20-5-4-17(13-19(20)26)36(3,34)35/h4-5,12-14,16,21,28H,6-11H2,1-3H3/t21-/m0/s1
InChIKeyOGQBGSPBXBXRCG-NRFANRHFSA-N
XLogP2.66
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.05
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 67469940
5-chloro-2-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 54671180
1-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-3-(2,6-difluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 77426616
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 77426684
3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one
CID 67469697
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-2-one
CID 54670344
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 67470544
4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide
CID 123265312
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
CID 54670343
(3S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 54671365
(3S)-1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)piperidin-2-one
CID 71557642
(3S)-1-[1-(5-chloro-3-isocyano-2-pyridinyl)piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 157445375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide (CID 54670712) is 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cnc(N2CCC(N3CC[C@H](Nc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is OGQBGSPBXBXRCG-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29ClFN5O4S/c1-29(2)23(32)15-12-18(25)22(27-14-15)30-9-6-16(7-10-30)31-11-8-21(24(31)33)28-20-5-4-17(13-19(20)26)36(3,34)35/h4-5,12-14,16,21,28H,6-11H2,1-3H3/t21-/m0/s1.
What are the key properties of 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide?
5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 538.05 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 54670712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).