3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone

C15H14N2OS — CID 6737250

IUPAC3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccn2)s1)N1CC=CCC1
InChIInChI=1S/C15H14N2OS/c18-15(17-10-4-1-5-11-17)14-8-7-13(19-14)12-6-2-3-9-16-12/h1-4,6-9H,5,10-11H2
InChIKeyNQAIOKZDQZAHLW-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.21
Rot. Bonds2

About 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone

3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone (PubChem CID 6737250) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
PubChem CID6737250
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2ccccn2)s1)N1CC=CCC1
InChIInChI=1S/C15H14N2OS/c18-15(17-10-4-1-5-11-17)14-8-7-13(19-14)12-6-2-3-9-16-12/h1-4,6-9H,5,10-11H2
InChIKeyNQAIOKZDQZAHLW-UHFFFAOYSA-N
XLogP3.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)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

5-pyridin-2-ylthiophene-2-carboxamide
CID 2778719
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382003
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 59382198
methane;2-pyridin-3-yl-1-[4-(5-pyridin-2-ylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 158873719
3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25212112
(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3868204
7-chloro-6-phenyl-2-(5-pyridin-2-ylthiophene-2-carbonyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-8-carboxylic acid
CID 142776089
2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
CID 2776201
2,2-dimethyl-1-(5-pyridin-2-ylthiophen-2-yl)propan-1-one
CID 169026548
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527697
3,6-dihydro-2H-pyridin-1-yl(isoquinolin-1-yl)methanone
CID 141178399
4,5-dichloro-2-(5-pyridin-2-ylthiophene-2-carbonyl)benzoic acid
CID 110172928

Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone (CID 6737250) is 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(-c2ccccn2)s1)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone?
The InChIKey is NQAIOKZDQZAHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c18-15(17-10-4-1-5-11-17)14-8-7-13(19-14)12-6-2-3-9-16-12/h1-4,6-9H,5,10-11H2.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone?
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone has a molecular weight of 270.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 6737250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).