3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone

C14H18N2O — CID 114411450

IUPAC3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
SMILESCCNc1ccccc1C(=O)N1CC=CCC1
InChIInChI=1S/C14H18N2O/c1-2-15-13-9-5-4-8-12(13)14(17)16-10-6-3-7-11-16/h3-6,8-9,15H,2,7,10-11H2,1H3
InChIKeyUBORGZVCALPUMU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds3

About 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone

3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone (PubChem CID 114411450) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
PubChem CID114411450
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
SMILESCCNc1ccccc1C(=O)N1CC=CCC1
InChIInChI=1S/C14H18N2O/c1-2-15-13-9-5-4-8-12(13)14(17)16-10-6-3-7-11-16/h3-6,8-9,15H,2,7,10-11H2,1H3
InChIKeyUBORGZVCALPUMU-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)phenyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63620069
3,6-dihydro-2H-pyridin-1-yl-(2-sulfanylphenyl)methanone
CID 107036222
[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107223818
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 63108174
4-[2-(ethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606608
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
CID 63605316

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone (CID 114411450) is 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone is CCNc1ccccc1C(=O)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone?
The InChIKey is UBORGZVCALPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-15-13-9-5-4-8-12(13)14(17)16-10-6-3-7-11-16/h3-6,8-9,15H,2,7,10-11H2,1H3.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone has a molecular weight of 230.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone is sourced from PubChem (CID 114411450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).