4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine

C15H17N3 — CID 141002637

IUPAC4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine
SMILESC1=CC(C2=CC(C3=CNCC=C3)CC=N2)N=CC1
InChIInChI=1S/C15H17N3/c1-2-8-17-14(5-1)15-10-12(6-9-18-15)13-4-3-7-16-11-13/h1,3-5,8-12,14,16H,2,6-7H2
InChIKeyFDPMWUXUQFGJPA-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.40
Rot. Bonds2

About 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine

4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine (PubChem CID 141002637) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine
PubChem CID141002637
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine
SMILESC1=CC(C2=CC(C3=CNCC=C3)CC=N2)N=CC1
InChIInChI=1S/C15H17N3/c1-2-8-17-14(5-1)15-10-12(6-9-18-15)13-4-3-7-16-11-13/h1,3-5,8-12,14,16H,2,6-7H2
InChIKeyFDPMWUXUQFGJPA-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

2-(2,3,4,5-Tetrahydropyridin-4-yl)-1,2-dihydropyridin-5-amine
CID 67424456
2-(2,5-Dihydropyridin-4-yl)-1,2-dihydropyridine
CID 68653775
N-(3,4-dihydropyridin-3-ylmethyl)cyclohexa-2,4-dien-1-amine
CID 89245377
6-(6-Ethyl-3,4-dihydropyridin-4-yl)-2,3,4,4a-tetrahydroisoquinolin-8-amine
CID 89738430
(4R)-4-methyl-7-methylidene-4,6-dihydro-3H-1,6-naphthyridine
CID 89796066
4-methyl-8-methylidene-4,7-dihydro-3H-1,7-naphthyridine
CID 129089315
8,8a-Dihydroisoquinolin-5-amine
CID 138600380
5-(1,2-Dihydropyridin-5-yl)-6-(2,3-dihydropyridin-2-yl)-2,5-dihydropyridine
CID 141002609
2,5-Bis(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyrazine
CID 141810224
2-Methyl-5-(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyrazine
CID 141810263
8,8a-Dihydroisoquinolin-6-amine
CID 149407326
N-[(3S)-pyrrolidin-3-yl]-8,8a-dihydroisoquinolin-5-amine
CID 160244336

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine?
The IUPAC name of 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine (CID 141002637) is 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine?
The canonical SMILES for 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine is C1=CC(C2=CC(C3=CNCC=C3)CC=N2)N=CC1.
What is the InChIKey of 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine?
The InChIKey is FDPMWUXUQFGJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-8-17-14(5-1)15-10-12(6-9-18-15)13-4-3-7-16-11-13/h1,3-5,8-12,14,16H,2,6-7H2.
What are the key properties of 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine?
4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine has a molecular weight of 239.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydropyridin-5-yl)-6-(2,5-dihydropyridin-2-yl)-3,4-dihydropyridine is sourced from PubChem (CID 141002637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).