methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate

C20H24FN3O5S — CID 22176524

IUPACmethyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)nc1
InChIInChI=1S/C20H24FN3O5S/c1-13(2)30(27,28)23-12-20(3,21)15-6-8-16(9-7-15)24-18(25)17-10-5-14(11-22-17)19(26)29-4/h5-11,13,23H,12H2,1-4H3,(H,24,25)
InChIKeyPHEKKAFFUHYPOA-UHFFFAOYSA-N
MW437.49 g/mol
LogP2.63
Rot. Bonds8

About methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 22176524) has the molecular formula C20H24FN3O5S and a molecular weight of 437.49 g/mol. Its IUPAC name is methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate
PubChem CID22176524
Molecular FormulaC20H24FN3O5S
Molecular Weight437.49 g/mol
Exact Mass437.14
IUPAC Namemethyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)nc1
InChIInChI=1S/C20H24FN3O5S/c1-13(2)30(27,28)23-12-20(3,21)15-6-8-16(9-7-15)24-18(25)17-10-5-14(11-22-17)19(26)29-4/h5-11,13,23H,12H2,1-4H3,(H,24,25)
InChIKeyPHEKKAFFUHYPOA-UHFFFAOYSA-N
XLogP2.63
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
methyl 4-[[5-(dipropylamino)pyridine-2-carbonyl]amino]benzoate
CID 109196665
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
methyl 4-[[5-(tert-butylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109287411
methyl 4-[[6-[(4-fluorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109198978
methyl 4-[[5-(N-methylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109197694
methyl 6-[[3-(sulfamoylamino)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55559964
methyl 4-[[5-[(4-methylphenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109188819

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate (CID 22176524) is methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc(C(C)(F)CNS(=O)(=O)C(C)C)cc2)nc1.
What is the InChIKey of methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is PHEKKAFFUHYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O5S/c1-13(2)30(27,28)23-12-20(3,21)15-6-8-16(9-7-15)24-18(25)17-10-5-14(11-22-17)19(26)29-4/h5-11,13,23H,12H2,1-4H3,(H,24,25).
What are the key properties of methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 437.49 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-[2-fluoro-1-(propan-2-ylsulfonylamino)propan-2-yl]phenyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 22176524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).