N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide

C17H21N3O3S — CID 113069126

IUPACN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H21N3O3S/c1-13-6-4-8-16(14(13)2)20(24(3,22)23)11-10-19-17(21)15-7-5-9-18-12-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)
InChIKeyBAYGOMLHZCPKGC-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.89
Rot. Bonds6

About N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide

N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 113069126) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
PubChem CID113069126
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
SMILESCc1cccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)c1C
InChIInChI=1S/C17H21N3O3S/c1-13-6-4-8-16(14(13)2)20(24(3,22)23)11-10-19-17(21)15-7-5-9-18-12-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)
InChIKeyBAYGOMLHZCPKGC-UHFFFAOYSA-N
XLogP1.89
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070510
N-[2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]ethyl]pyridine-3-carboxamide
CID 113067780
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113069117
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070266
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
2-methyl-N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]benzamide
CID 113071751
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide (CID 113069126) is N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide is Cc1cccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is BAYGOMLHZCPKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-13-6-4-8-16(14(13)2)20(24(3,22)23)11-10-19-17(21)15-7-5-9-18-12-15/h4-9,12H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113069126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).