2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine

C20H23N3O2S — CID 2999915

IUPAC2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(N2CC=C(c3ccccc3)CC2)nc1)N1CCCC1
InChIInChI=1S/C20H23N3O2S/c24-26(25,23-12-4-5-13-23)19-8-9-20(21-16-19)22-14-10-18(11-15-22)17-6-2-1-3-7-17/h1-3,6-10,16H,4-5,11-15H2
InChIKeyHDMHDEVSNZAQNG-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.16
Rot. Bonds4

About 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine

2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine (PubChem CID 2999915) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine
PubChem CID2999915
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(N2CC=C(c3ccccc3)CC2)nc1)N1CCCC1
InChIInChI=1S/C20H23N3O2S/c24-26(25,23-12-4-5-13-23)19-8-9-20(21-16-19)22-14-10-18(11-15-22)17-6-2-1-3-7-17/h1-3,6-10,16H,4-5,11-15H2
InChIKeyHDMHDEVSNZAQNG-UHFFFAOYSA-N
XLogP3.16
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
The IUPAC name of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine (CID 2999915) is 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(N2CC=C(c3ccccc3)CC2)nc1)N1CCCC1.
What is the InChIKey of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
The InChIKey is HDMHDEVSNZAQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-26(25,23-12-4-5-13-23)19-8-9-20(21-16-19)22-14-10-18(11-15-22)17-6-2-1-3-7-17/h1-3,6-10,16H,4-5,11-15H2.
What are the key properties of 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine?
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine has a molecular weight of 369.49 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-5-pyrrolidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2999915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).