2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine

C13H17N3 — CID 6389249

IUPAC2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=NCCC2)NC(C2=NCCC2)=C1
InChIInChI=1S/C13H17N3/c1-4-12(10-6-2-8-14-10)16-13(5-1)11-7-3-9-15-11/h1,4-5,12,16H,2-3,6-9H2
InChIKeyNGTQBMGWPWVLPC-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.87
Rot. Bonds2

About 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine

2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine (PubChem CID 6389249) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine
PubChem CID6389249
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=NCCC2)NC(C2=NCCC2)=C1
InChIInChI=1S/C13H17N3/c1-4-12(10-6-2-8-14-10)16-13(5-1)11-7-3-9-15-11/h1,4-5,12,16H,2-3,6-9H2
InChIKeyNGTQBMGWPWVLPC-UHFFFAOYSA-N
XLogP1.87
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine?
The IUPAC name of 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine (CID 6389249) is 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine?
The canonical SMILES for 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine is C1=CC(C2=NCCC2)NC(C2=NCCC2)=C1.
What is the InChIKey of 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine?
The InChIKey is NGTQBMGWPWVLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-4-12(10-6-2-8-14-10)16-13(5-1)11-7-3-9-15-11/h1,4-5,12,16H,2-3,6-9H2.
What are the key properties of 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine?
2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine has a molecular weight of 215.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3,4-dihydro-2H-pyrrol-5-yl)-1,2-dihydropyridine is sourced from PubChem (CID 6389249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).