3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine

C18H21N2+ — CID 58894360

IUPAC3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine
SMILESCCC1=[NH+][C@@H](C)CC1(c1ccccc1)c1cccnc1
InChIInChI=1S/C18H20N2/c1-3-17-18(12-14(2)20-17,15-8-5-4-6-9-15)16-10-7-11-19-13-16/h4-11,13-14H,3,12H2,1-2H3/p+1/t14-,18?/m0/s1
InChIKeyANBYUTKHDHEWQA-PIVQAISJSA-O
MW265.38 g/mol
LogP2.09
Rot. Bonds3

About 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine

3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine (PubChem CID 58894360) has the molecular formula C18H21N2+ and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine
PubChem CID58894360
Molecular FormulaC18H21N2+
Molecular Weight265.38 g/mol
Exact Mass265.17
IUPAC Name3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine
SMILESCCC1=[NH+][C@@H](C)CC1(c1ccccc1)c1cccnc1
InChIInChI=1S/C18H20N2/c1-3-17-18(12-14(2)20-17,15-8-5-4-6-9-15)16-10-7-11-19-13-16/h4-11,13-14H,3,12H2,1-2H3/p+1/t14-,18?/m0/s1
InChIKeyANBYUTKHDHEWQA-PIVQAISJSA-O
XLogP2.09
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S,4R)-5-ethyl-2-methyl-3,4-dihydro-2H-pyrrol-1-ium-4-yl]pyridine
CID 58894355
(2-methyl-2-pyridin-3-ylcyclopropyl)methanol
CID 81358842
5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
N-methyl-1-(3-propyl-1-pyridin-3-ylcyclobutyl)methanamine
CID 80522419
2-methyl-N-[(3-methyl-1-pyridin-3-ylcyclobutyl)methyl]propan-1-amine
CID 80522198
2-methyl-N-[(2-methyl-2-pyridin-3-ylcyclopropyl)methyl]propan-1-amine
CID 62714424
3-fluoro-1-pyridin-3-ylcyclobutane-1-carbonitrile
CID 155266174
3-propan-2-yl-1-pyridin-3-ylcyclobutan-1-ol
CID 103564024
N-[(3-ethyl-1-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 80522808
3-pyridin-3-ylbicyclo[3.1.0]hexan-3-amine
CID 82411366
N-[(1-phenylcyclobutyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63078815

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine?
The IUPAC name of 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine (CID 58894360) is 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine.
What is the SMILES notation for 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine?
The canonical SMILES for 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine is CCC1=[NH+][C@@H](C)CC1(c1ccccc1)c1cccnc1.
What is the InChIKey of 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine?
The InChIKey is ANBYUTKHDHEWQA-PIVQAISJSA-O. The full InChI is InChI=1S/C18H20N2/c1-3-17-18(12-14(2)20-17,15-8-5-4-6-9-15)16-10-7-11-19-13-16/h4-11,13-14H,3,12H2,1-2H3/p+1/t14-,18?/m0/s1.
What are the key properties of 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine?
3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine has a molecular weight of 265.38 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-5-ethyl-2-methyl-4-phenyl-2,3-dihydropyrrol-1-ium-4-yl]pyridine is sourced from PubChem (CID 58894360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).