(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone

C17H19NO — CID 142255618

IUPAC(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone
SMILESCCC1=C(C(=O)c2ccncc2CC)CC=CC=C1
InChIInChI=1S/C17H19NO/c1-3-13-8-6-5-7-9-15(13)17(19)16-10-11-18-12-14(16)4-2/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyJAYFUFIRPQESQI-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.05
Rot. Bonds4

About (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone

(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone (PubChem CID 142255618) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone
PubChem CID142255618
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone
SMILESCCC1=C(C(=O)c2ccncc2CC)CC=CC=C1
InChIInChI=1S/C17H19NO/c1-3-13-8-6-5-7-9-15(13)17(19)16-10-11-18-12-14(16)4-2/h5-8,10-12H,3-4,9H2,1-2H3
InChIKeyJAYFUFIRPQESQI-UHFFFAOYSA-N
XLogP4.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone 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

1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
4-[(Z)-but-2-en-2-yl]-3-ethylpyridine
CID 143124688
3-(3-ethyl-4-pyridinyl)pentane-1,5-diol
CID 26793167
(3-ethyl-4-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659439
(3S,4S)-1-(3-ethylpyridine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 122112028
(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680064
1-(4-ethyl-3-pyridinyl)propan-2-one
CID 83826723
3,4-diethylpyridine;ethane
CID 90914060
3-(chloromethyl)pyridine-4-carbonyl chloride
CID 142681403
(E)-3-(3,5-dimethoxyphenyl)-1-(3-ethyl-4-pyridinyl)prop-2-en-1-one
CID 75395980

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone?
The IUPAC name of (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone (CID 142255618) is (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone.
What is the SMILES notation for (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone?
The canonical SMILES for (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone is CCC1=C(C(=O)c2ccncc2CC)CC=CC=C1.
What is the InChIKey of (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone?
The InChIKey is JAYFUFIRPQESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-13-8-6-5-7-9-15(13)17(19)16-10-11-18-12-14(16)4-2/h5-8,10-12H,3-4,9H2,1-2H3.
What are the key properties of (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone?
(2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone has a molecular weight of 253.34 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohepta-1,3,5-trien-1-yl)-(3-ethyl-4-pyridinyl)methanone is sourced from PubChem (CID 142255618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).