5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

C19H25N3O5S — CID 158000615

IUPAC5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Cc2cncc(C(=O)NCCN(C)C)c2)c1
InChIInChI=1S/C19H25N3O5S/c1-22(2)8-7-21-19(23)15-9-14(11-20-12-15)13-28(24,25)18-10-16(26-3)5-6-17(18)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,23)
InChIKeyQJHHLRCBXTVZQY-UHFFFAOYSA-N
MW407.49 g/mol
LogP1.36
Rot. Bonds9

About 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide

5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (PubChem CID 158000615) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
PubChem CID158000615
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Cc2cncc(C(=O)NCCN(C)C)c2)c1
InChIInChI=1S/C19H25N3O5S/c1-22(2)8-7-21-19(23)15-9-14(11-20-12-15)13-28(24,25)18-10-16(26-3)5-6-17(18)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,23)
InChIKeyQJHHLRCBXTVZQY-UHFFFAOYSA-N
XLogP1.36
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 148788780
2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
CID 149046563
4-N-(2,4-dimethoxyphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045814
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
5-N-(2,4-dimethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101267
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine
CID 161183408
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide (CID 158000615) is 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is COc1ccc(OC)c(S(=O)(=O)Cc2cncc(C(=O)NCCN(C)C)c2)c1.
What is the InChIKey of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is QJHHLRCBXTVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-22(2)8-7-21-19(23)15-9-14(11-20-12-15)13-28(24,25)18-10-16(26-3)5-6-17(18)27-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,21,23).
What are the key properties of 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide?
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 1.36, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 158000615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).