6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide

C19H23N3O3S — CID 133304072

IUPAC6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCCOc1ccccc1C1=CCN(c2ccc(S(=O)(=O)NC)cn2)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-18-7-5-4-6-17(18)15-10-12-22(13-11-15)19-9-8-16(14-21-19)26(23,24)20-2/h4-10,14,20H,3,11-13H2,1-2H3
InChIKeyYTUVBGZEYIUKCS-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.68
Rot. Bonds6

About 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide

6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 133304072) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID133304072
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCCOc1ccccc1C1=CCN(c2ccc(S(=O)(=O)NC)cn2)CC1
InChIInChI=1S/C19H23N3O3S/c1-3-25-18-7-5-4-6-17(18)15-10-12-22(13-11-15)19-9-8-16(14-21-19)26(23,24)20-2/h4-10,14,20H,3,11-13H2,1-2H3
InChIKeyYTUVBGZEYIUKCS-UHFFFAOYSA-N
XLogP2.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 133277071
1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 133277072
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine
CID 133277066
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 133277047
6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599660
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133317803
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133277029
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-methylpyridine-3-sulfonamide
CID 56786531
6-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-sulfonamide
CID 9024283
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
6-[4-[3-[(6-amino-3-pyridinyl)sulfonyl]prop-2-ynyl]piperazin-1-yl]-N-methylpyridine-3-sulfonamide
CID 90043801
N-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 133431532

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide (CID 133304072) is 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide is CCOc1ccccc1C1=CCN(c2ccc(S(=O)(=O)NC)cn2)CC1.
What is the InChIKey of 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is YTUVBGZEYIUKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-3-25-18-7-5-4-6-17(18)15-10-12-22(13-11-15)19-9-8-16(14-21-19)26(23,24)20-2/h4-10,14,20H,3,11-13H2,1-2H3.
What are the key properties of 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide?
6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133304072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).