2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine

C12H13N3 — CID 4245605

IUPAC2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
SMILESCN1CCc2nc3ccncc3cc2C1
InChIInChI=1S/C12H13N3/c1-15-5-3-12-10(8-15)6-9-7-13-4-2-11(9)14-12/h2,4,6-7H,3,5,8H2,1H3
InChIKeyISDQERQEKMJSBQ-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.62
Rot. Bonds

About 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine

2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine (PubChem CID 4245605) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
PubChem CID4245605
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
SMILESCN1CCc2nc3ccncc3cc2C1
InChIInChI=1S/C12H13N3/c1-15-5-3-12-10(8-15)6-9-7-13-4-2-11(9)14-12/h2,4,6-7H,3,5,8H2,1H3
InChIKeyISDQERQEKMJSBQ-UHFFFAOYSA-N
XLogP1.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine 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-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine (CID 4245605) is 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine is CN1CCc2nc3ccncc3cc2C1.
What is the InChIKey of 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The InChIKey is ISDQERQEKMJSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-15-5-3-12-10(8-15)6-9-7-13-4-2-11(9)14-12/h2,4,6-7H,3,5,8H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine has a molecular weight of 199.26 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 4245605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).