2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine

C21H26N6 — CID 71240472

IUPAC2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1nnnn1C)C2
InChIInChI=1S/C21H26N6/c1-5-15-8-7-9-16(6-2)20(15)19-12-14(3)17-13-27(11-10-18(17)22-19)21-23-24-25-26(21)4/h7-9,12H,5-6,10-11,13H2,1-4H3
InChIKeyOENIMEXHWVKUBT-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.27
Rot. Bonds4

About 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine

2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71240472) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID71240472
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1nnnn1C)C2
InChIInChI=1S/C21H26N6/c1-5-15-8-7-9-16(6-2)20(15)19-12-14(3)17-13-27(11-10-18(17)22-19)21-23-24-25-26(21)4/h7-9,12H,5-6,10-11,13H2,1-4H3
InChIKeyOENIMEXHWVKUBT-UHFFFAOYSA-N
XLogP3.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-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-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine (CID 71240472) is 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine is CCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1nnnn1C)C2.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is OENIMEXHWVKUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-5-15-8-7-9-16(6-2)20(15)19-12-14(3)17-13-27(11-10-18(17)22-19)21-23-24-25-26(21)4/h7-9,12H,5-6,10-11,13H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine?
2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 362.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-methyl-6-(1-methyltetrazol-5-yl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71240472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).