5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine

C15H17N3 — CID 141002609

IUPAC5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=CCC(C2=NCC=CC2C2=CNCC=C2)N=C1
InChIInChI=1S/C15H17N3/c1-2-9-17-14(7-1)15-13(6-4-10-18-15)12-5-3-8-16-11-12/h1-6,9,11,13-14,16H,7-8,10H2
InChIKeyQIKJYZAQIDCUNE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.06
Rot. Bonds2

About 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine

5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine (PubChem CID 141002609) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine
PubChem CID141002609
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine
SMILESC1=CCC(C2=NCC=CC2C2=CNCC=C2)N=C1
InChIInChI=1S/C15H17N3/c1-2-9-17-14(7-1)15-13(6-4-10-18-15)12-5-3-8-16-11-12/h1-6,9,11,13-14,16H,7-8,10H2
InChIKeyQIKJYZAQIDCUNE-UHFFFAOYSA-N
XLogP2.06
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(1,2-Dihydropyridin-4-yl)-5-(2,3-dihydropyridin-4-yl)cyclohexa-1,5-dien-1-yl]-3,4-dihydropyridine
CID 71044147
2-[1-(1,2-Dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine
CID 89188300
(1R)-2-[(1S)-cyclohexa-2,4-dien-1-yl]-1-(3,4-dihydropyridin-5-yl)ethanamine
CID 89864824
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
4a,5,5a,9a-tetrahydro-4H-pyrido[4,3-b]indole
CID 91127106
2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridin-1-ium
CID 91135166
6-Azatricyclo[9.4.0.03,8]pentadeca-3,5,8,10,12,14-hexaen-2-amine
CID 91398657
3-[2-(1,2,3,4-tetrahydropyridin-2-yl)propyl]-1H-pyrido[4,3-b]indole
CID 140608199
4-(1,2-Dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine
CID 141002637
2-[(E)-3-(3,4-dihydropyridin-5-yl)prop-2-enimidoyl]bicyclo[4.1.0]hepta-2,4-dien-1-amine;molecular hydrogen
CID 143303219
(Z)-but-2-ene;4-ethylheptane;(Z,4E)-3-methanimidoyl-N-methyl-4-[(3-methylbut-3-en-2-ylideneamino)methylidene]hex-2-en-1-amine
CID 143756107
4a,5,10a,10b-Tetrahydrobenzo[h]quinolin-5-amine
CID 146237739

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine?
The IUPAC name of 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine (CID 141002609) is 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine.
What is the SMILES notation for 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine?
The canonical SMILES for 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine is C1=CCC(C2=NCC=CC2C2=CNCC=C2)N=C1.
What is the InChIKey of 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine?
The InChIKey is QIKJYZAQIDCUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-9-17-14(7-1)15-13(6-4-10-18-15)12-5-3-8-16-11-12/h1-6,9,11,13-14,16H,7-8,10H2.
What are the key properties of 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine?
5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine has a molecular weight of 239.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine is sourced from PubChem (CID 141002609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).