N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide

C16H19N3O4S — CID 113070510

IUPACN-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-5-14(6-8-15)19(24(2,21)22)11-10-18-16(20)13-4-3-9-17-12-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)
InChIKeyRPFFZYOMEBOQNU-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide

N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide (PubChem CID 113070510) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
PubChem CID113070510
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S/c1-23-15-7-5-14(6-8-15)19(24(2,21)22)11-10-18-16(20)13-4-3-9-17-12-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)
InChIKeyRPFFZYOMEBOQNU-UHFFFAOYSA-N
XLogP1.29
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113070266
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide
CID 113069126
N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxamide
CID 113070892
N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113069746
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361
3-fluoro-N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113070752

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide (CID 113070510) is N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide is COc1ccc(N(CCNC(=O)c2cccnc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is RPFFZYOMEBOQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-23-15-7-5-14(6-8-15)19(24(2,21)22)11-10-18-16(20)13-4-3-9-17-12-13/h3-9,12H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide?
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113070510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).