2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid

C25H33N3O4S — CID 135140987

IUPAC2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid
SMILESCc1nc(C)c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C25H33N3O4S/c1-16-21(15-22(29)30)24(28-13-11-25(3,4)12-14-28)23(17(2)26-16)18-5-9-20(10-6-18)33(31,32)27-19-7-8-19/h5-6,9-10,19,27H,7-8,11-15H2,1-4H3,(H,29,30)
InChIKeyCZBQMHWYBAJHBS-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.06
Rot. Bonds7

About 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid

2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid (PubChem CID 135140987) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid
PubChem CID135140987
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid
SMILESCc1nc(C)c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(N2CCC(C)(C)CC2)c1CC(=O)O
InChIInChI=1S/C25H33N3O4S/c1-16-21(15-22(29)30)24(28-13-11-25(3,4)12-14-28)23(17(2)26-16)18-5-9-20(10-6-18)33(31,32)27-19-7-8-19/h5-6,9-10,19,27H,7-8,11-15H2,1-4H3,(H,29,30)
InChIKeyCZBQMHWYBAJHBS-UHFFFAOYSA-N
XLogP4.06
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid with MolForge

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Related Compounds

2-[5-[4-(N-aminocarbamohydrazonoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid
CID 145227427
2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[4-[2-(2,3,5,6-tetrafluorophenyl)ethoxy]phenyl]-3-pyridinyl]acetic acid
CID 138497875
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(6-fluoro-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 142399072
2-[5-[3,3-bis[(4-fluorophenyl)methyl]-2,4-dioxo-1H-quinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 145400457
ethyl 2-[4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-5-[4-(phenylmethoxycarbonylamino)phenyl]-3-pyridinyl]acetate
CID 135141178
2-[5-bromo-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 145227459
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[(2-ethoxy-4,6-difluorophenyl)methylcarbamoyl]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid;2-methylpropan-2-ol
CID 145227456
2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(5-ethyl-8-methylpyrimido[5,4-b]indol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethyl-3-pyridinyl]acetic acid
CID 126587365
2-[4-(8-azaspiro[4.5]decan-8-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2,6-dimethyl-3-pyridinyl]acetic acid
CID 126590251
N-cyclopropyl-4-(4-hydroxy-4-methylpiperidin-1-yl)benzenesulfonamide
CID 81107725
2-[6-(acetamidomethyl)-4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-3-pyridinyl]acetic acid
CID 126582082
2-[6-[(4-chlorophenoxy)methyl]-4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-methyl-3-pyridinyl]acetic acid
CID 145258102

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid (CID 135140987) is 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid is Cc1nc(C)c(-c2ccc(S(=O)(=O)NC3CC3)cc2)c(N2CCC(C)(C)CC2)c1CC(=O)O.
What is the InChIKey of 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid?
The InChIKey is CZBQMHWYBAJHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S/c1-16-21(15-22(29)30)24(28-13-11-25(3,4)12-14-28)23(17(2)26-16)18-5-9-20(10-6-18)33(31,32)27-19-7-8-19/h5-6,9-10,19,27H,7-8,11-15H2,1-4H3,(H,29,30).
What are the key properties of 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid?
2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid has a molecular weight of 471.62 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(cyclopropylsulfamoyl)phenyl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 135140987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).