2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine

C33H28N4O2 — CID 175283001

IUPAC2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine
SMILESCc1cc(C2Cc3c(ccc4ccccc34)C3=C2CCC=C3)nc(C)c1[N+](=O)[O-].c1cnc2ccncc2c1
InChIInChI=1S/C25H22N2O2.C8H6N2/c1-15-13-24(26-16(2)25(15)27(28)29)23-14-22-18-8-4-3-7-17(18)11-12-21(22)19-9-5-6-10-20(19)23;1-2-7-6-9-5-3-8(7)10-4-1/h3-5,7-9,11-13,23H,6,10,14H2,1-2H3;1-6H
InChIKeyZUBMBHYSVTWAQK-UHFFFAOYSA-N
MW512.61 g/mol
LogP7.83
Rot. Bonds2

About 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine

2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine (PubChem CID 175283001) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine.

Molecular Properties

Compound Name2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine
PubChem CID175283001
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC Name2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine
SMILESCc1cc(C2Cc3c(ccc4ccccc34)C3=C2CCC=C3)nc(C)c1[N+](=O)[O-].c1cnc2ccncc2c1
InChIInChI=1S/C25H22N2O2.C8H6N2/c1-15-13-24(26-16(2)25(15)27(28)29)23-14-22-18-8-4-3-7-17(18)11-12-21(22)19-9-5-6-10-20(19)23;1-2-7-6-9-5-3-8(7)10-4-1/h3-5,7-9,11-13,23H,6,10,14H2,1-2H3;1-6H
InChIKeyZUBMBHYSVTWAQK-UHFFFAOYSA-N
XLogP7.83
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;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-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine?
The IUPAC name of 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine (CID 175283001) is 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine.
What is the SMILES notation for 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine?
The canonical SMILES for 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine is Cc1cc(C2Cc3c(ccc4ccccc34)C3=C2CCC=C3)nc(C)c1[N+](=O)[O-].c1cnc2ccncc2c1.
What is the InChIKey of 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine?
The InChIKey is ZUBMBHYSVTWAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2.C8H6N2/c1-15-13-24(26-16(2)25(15)27(28)29)23-14-22-18-8-4-3-7-17(18)11-12-21(22)19-9-5-6-10-20(19)23;1-2-7-6-9-5-3-8(7)10-4-1/h3-5,7-9,11-13,23H,6,10,14H2,1-2H3;1-6H.
What are the key properties of 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine?
2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine has a molecular weight of 512.61 g/mol, XLogP of 7.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-nitro-6-(5,6,7,8-tetrahydrochrysen-6-yl)pyridine;1,6-naphthyridine is sourced from PubChem (CID 175283001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).