2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C18H21N3O4S — CID 3981165

IUPAC2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-2-25-18-16(6-5-11-19-18)17(22)20-14-7-9-15(10-8-14)26(23,24)21-12-3-4-13-21/h5-11H,2-4,12-13H2,1H3,(H,20,22)
InChIKeyRYPAGXLVDGPZPP-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.52
Rot. Bonds6

About 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 3981165) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID3981165
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-2-25-18-16(6-5-11-19-18)17(22)20-14-7-9-15(10-8-14)26(23,24)21-12-3-4-13-21/h5-11H,2-4,12-13H2,1H3,(H,20,22)
InChIKeyRYPAGXLVDGPZPP-UHFFFAOYSA-N
XLogP2.52
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 3981165) is 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is RYPAGXLVDGPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-2-25-18-16(6-5-11-19-18)17(22)20-14-7-9-15(10-8-14)26(23,24)21-12-3-4-13-21/h5-11H,2-4,12-13H2,1H3,(H,20,22).
What are the key properties of 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 3981165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).