2-pyridin-2-yl-2,3-dihydro-1H-perimidine

C16H13N3 — CID 23989584

IUPAC2-pyridin-2-yl-2,3-dihydro-1H-perimidine
SMILESc1ccc(C2Nc3cccc4cccc(c34)N2)nc1
InChIInChI=1S/C16H13N3/c1-2-10-17-14(7-1)16-18-12-8-3-5-11-6-4-9-13(19-16)15(11)12/h1-10,16,18-19H
InChIKeyUGKBEASHLVYMGU-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.77
Rot. Bonds1

About 2-pyridin-2-yl-2,3-dihydro-1H-perimidine

2-pyridin-2-yl-2,3-dihydro-1H-perimidine (PubChem CID 23989584) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-pyridin-2-yl-2,3-dihydro-1H-perimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-2,3-dihydro-1H-perimidine
PubChem CID23989584
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-pyridin-2-yl-2,3-dihydro-1H-perimidine
SMILESc1ccc(C2Nc3cccc4cccc(c34)N2)nc1
InChIInChI=1S/C16H13N3/c1-2-10-17-14(7-1)16-18-12-8-3-5-11-6-4-9-13(19-16)15(11)12/h1-10,16,18-19H
InChIKeyUGKBEASHLVYMGU-UHFFFAOYSA-N
XLogP3.77
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

Analyze 2-pyridin-2-yl-2,3-dihydro-1H-perimidine 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-pyridin-2-yl-2,3-dihydro-1H-perimidine?
The IUPAC name of 2-pyridin-2-yl-2,3-dihydro-1H-perimidine (CID 23989584) is 2-pyridin-2-yl-2,3-dihydro-1H-perimidine.
What is the SMILES notation for 2-pyridin-2-yl-2,3-dihydro-1H-perimidine?
The canonical SMILES for 2-pyridin-2-yl-2,3-dihydro-1H-perimidine is c1ccc(C2Nc3cccc4cccc(c34)N2)nc1.
What is the InChIKey of 2-pyridin-2-yl-2,3-dihydro-1H-perimidine?
The InChIKey is UGKBEASHLVYMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-10-17-14(7-1)16-18-12-8-3-5-11-6-4-9-13(19-16)15(11)12/h1-10,16,18-19H.
What are the key properties of 2-pyridin-2-yl-2,3-dihydro-1H-perimidine?
2-pyridin-2-yl-2,3-dihydro-1H-perimidine has a molecular weight of 247.30 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2,3-dihydro-1H-perimidine is sourced from PubChem (CID 23989584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).