methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate

C17H21N3O4S — CID 170357288

IUPACmethyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate
SMILESCCCCc1ccc(S(=O)(=O)Nc2ncc(N)cc2C(=O)OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-4-5-12-6-8-14(9-7-12)25(22,23)20-16-15(17(21)24-2)10-13(18)11-19-16/h6-11H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyZPVCOWWOOPLADK-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.59
Rot. Bonds7

About methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate

methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate (PubChem CID 170357288) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate
PubChem CID170357288
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Namemethyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate
SMILESCCCCc1ccc(S(=O)(=O)Nc2ncc(N)cc2C(=O)OC)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-4-5-12-6-8-14(9-7-12)25(22,23)20-16-15(17(21)24-2)10-13(18)11-19-16/h6-11H,3-5,18H2,1-2H3,(H,19,20)
InChIKeyZPVCOWWOOPLADK-UHFFFAOYSA-N
XLogP2.59
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(4-butylphenyl)sulfonylamino]-5-[[4-[4-[(4-butylphenyl)sulfonylamino]-3-methoxycarbonylanilino]-4-oxobutanoyl]amino]pyridine-3-carboxylate
CID 170357327
methyl 4-methyl-3-[(4-pentylphenyl)sulfonylamino]benzoate
CID 3759462
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926
4-butylbenzenesulfonohydrazide
CID 17255521
diethyl 2-[(4-butylphenyl)sulfonylamino]propanedioate
CID 5007632
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate
CID 7040597
5-[(4-butylphenyl)sulfamoyl]-2-hydroxybenzoic acid
CID 2133735
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-[3-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 17388137

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate (CID 170357288) is methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate is CCCCc1ccc(S(=O)(=O)Nc2ncc(N)cc2C(=O)OC)cc1.
What is the InChIKey of methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate?
The InChIKey is ZPVCOWWOOPLADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-4-5-12-6-8-14(9-7-12)25(22,23)20-16-15(17(21)24-2)10-13(18)11-19-16/h6-11H,3-5,18H2,1-2H3,(H,19,20).
What are the key properties of methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate?
methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(4-butylphenyl)sulfonylamino]pyridine-3-carboxylate is sourced from PubChem (CID 170357288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).