N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide

C18H22N2O3S — CID 99822043

IUPACN,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
SMILESCCc1cnccc1C(=O)N(CC)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C18H22N2O3S/c1-4-14-13-19-12-11-15(14)18(21)20(5-2)16-9-7-8-10-17(16)24(22,23)6-3/h7-13H,4-6H2,1-3H3
InChIKeyBRYZLVGFVLUMBJ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.10
Rot. Bonds6

About N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide

N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 99822043) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID99822043
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide
SMILESCCc1cnccc1C(=O)N(CC)c1ccccc1S(=O)(=O)CC
InChIInChI=1S/C18H22N2O3S/c1-4-14-13-19-12-11-15(14)18(21)20(5-2)16-9-7-8-10-17(16)24(22,23)6-3/h7-13H,4-6H2,1-3H3
InChIKeyBRYZLVGFVLUMBJ-UHFFFAOYSA-N
XLogP3.10
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide (CID 99822043) is N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide is CCc1cnccc1C(=O)N(CC)c1ccccc1S(=O)(=O)CC.
What is the InChIKey of N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is BRYZLVGFVLUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14-13-19-12-11-15(14)18(21)20(5-2)16-9-7-8-10-17(16)24(22,23)6-3/h7-13H,4-6H2,1-3H3.
What are the key properties of N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide?
N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-(2-ethylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 99822043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).