1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine

C23H30N4O3S — CID 133277072

IUPAC1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCCOc1ccccc1C1=CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1
InChIInChI=1S/C23H30N4O3S/c1-3-30-22-7-5-4-6-21(22)19-10-12-26(13-11-19)23-9-8-20(18-24-23)31(28,29)27-16-14-25(2)15-17-27/h4-10,18H,3,11-17H2,1-2H3
InChIKeyYXFDGBXGAXQEBB-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.71
Rot. Bonds6

About 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine

1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine (PubChem CID 133277072) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
PubChem CID133277072
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
SMILESCCOc1ccccc1C1=CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1
InChIInChI=1S/C23H30N4O3S/c1-3-30-22-7-5-4-6-21(22)19-10-12-26(13-11-19)23-9-8-20(18-24-23)31(28,29)27-16-14-25(2)15-17-27/h4-10,18H,3,11-17H2,1-2H3
InChIKeyYXFDGBXGAXQEBB-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine with MolForge

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Related Compounds

2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 133277071
6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133304072
2-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 133277047
1-methyl-4-[[6-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]piperazine
CID 2997914
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
N-benzyl-2-[4-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]acetamide
CID 24607567
5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-5-azaspiro[2.5]octane
CID 133480963
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-N-phenylpyrrolidin-3-amine
CID 133301487
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
N-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-6-piperidin-1-ylpyridin-3-amine
CID 55511360
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
CID 135189817
2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3H-quinazolin-4-one
CID 135710760

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine (CID 133277072) is 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine is CCOc1ccccc1C1=CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1.
What is the InChIKey of 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
The InChIKey is YXFDGBXGAXQEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-3-30-22-7-5-4-6-21(22)19-10-12-26(13-11-19)23-9-8-20(18-24-23)31(28,29)27-16-14-25(2)15-17-27/h4-10,18H,3,11-17H2,1-2H3.
What are the key properties of 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine?
1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine has a molecular weight of 442.59 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[4-(2-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine is sourced from PubChem (CID 133277072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).