1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone

C12H14N2O — CID 115969554

IUPAC1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CC=CCC2)nc1
InChIInChI=1S/C12H14N2O/c1-10(15)11-5-6-12(13-9-11)14-7-3-2-4-8-14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyCCORRIXIDYPCKT-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.05
Rot. Bonds2

About 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone

1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone (PubChem CID 115969554) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
PubChem CID115969554
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CC=CCC2)nc1
InChIInChI=1S/C12H14N2O/c1-10(15)11-5-6-12(13-9-11)14-7-3-2-4-8-14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyCCORRIXIDYPCKT-UHFFFAOYSA-N
XLogP2.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
1-[6-(3-methoxypiperidin-1-yl)-3-pyridinyl]ethanone
CID 103894520
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
1-(5-acetyl-2-pyridinyl)pyrrole-3-carboxylic acid
CID 86692514
(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95715102
1-[6-[(3R)-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
CID 95716273
1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone
CID 142367873
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
N-[[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 114412489

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone (CID 115969554) is 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CC=CCC2)nc1.
What is the InChIKey of 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is CCORRIXIDYPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10(15)11-5-6-12(13-9-11)14-7-3-2-4-8-14/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone?
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 202.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 115969554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).