2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine

C22H25N3 — CID 24731665

IUPAC2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
SMILESCC(C)(C)c1ccc(CN2CCc3nc4ccncc4cc3C2)cc1
InChIInChI=1S/C22H25N3/c1-22(2,3)19-6-4-16(5-7-19)14-25-11-9-21-18(15-25)12-17-13-23-10-8-20(17)24-21/h4-8,10,12-13H,9,11,14-15H2,1-3H3
InChIKeyDCDHOHZAEVCBAM-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.49
Rot. Bonds2

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

2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine (PubChem CID 24731665) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
PubChem CID24731665
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
SMILESCC(C)(C)c1ccc(CN2CCc3nc4ccncc4cc3C2)cc1
InChIInChI=1S/C22H25N3/c1-22(2,3)19-6-4-16(5-7-19)14-25-11-9-21-18(15-25)12-17-13-23-10-8-20(17)24-21/h4-8,10,12-13H,9,11,14-15H2,1-3H3
InChIKeyDCDHOHZAEVCBAM-UHFFFAOYSA-N
XLogP4.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-tert-butylphenyl)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-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine (CID 24731665) is 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine is CC(C)(C)c1ccc(CN2CCc3nc4ccncc4cc3C2)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
The InChIKey is DCDHOHZAEVCBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-22(2,3)19-6-4-16(5-7-19)14-25-11-9-21-18(15-25)12-17-13-23-10-8-20(17)24-21/h4-8,10,12-13H,9,11,14-15H2,1-3H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine?
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine has a molecular weight of 331.46 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine is sourced from PubChem (CID 24731665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).