3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine

C23H19Cl2N3O5 — CID 141480783

IUPAC3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine
SMILESCOc1cc(OC)c(Cl)c(C2=Cc3cnc(Nc4c(C)cccc4[N+](=O)[O-])cc3OC2)c1Cl
InChIInChI=1S/C23H19Cl2N3O5/c1-12-5-4-6-15(28(29)30)23(12)27-19-9-16-13(10-26-19)7-14(11-33-16)20-21(24)17(31-2)8-18(32-3)22(20)25/h4-10H,11H2,1-3H3,(H,26,27)
InChIKeyRNPNXLZKRUVXCZ-UHFFFAOYSA-N
MW488.33 g/mol
LogP6.30
Rot. Bonds6

About 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine

3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine (PubChem CID 141480783) has the molecular formula C23H19Cl2N3O5 and a molecular weight of 488.33 g/mol. Its IUPAC name is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine.

Molecular Properties

Compound Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine
PubChem CID141480783
Molecular FormulaC23H19Cl2N3O5
Molecular Weight488.33 g/mol
Exact Mass487.07
IUPAC Name3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine
SMILESCOc1cc(OC)c(Cl)c(C2=Cc3cnc(Nc4c(C)cccc4[N+](=O)[O-])cc3OC2)c1Cl
InChIInChI=1S/C23H19Cl2N3O5/c1-12-5-4-6-15(28(29)30)23(12)27-19-9-16-13(10-26-19)7-14(11-33-16)20-21(24)17(31-2)8-18(32-3)22(20)25/h4-10H,11H2,1-3H3,(H,26,27)
InChIKeyRNPNXLZKRUVXCZ-UHFFFAOYSA-N
XLogP6.30
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.33
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine 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 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine?
The IUPAC name of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine (CID 141480783) is 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine.
What is the SMILES notation for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine?
The canonical SMILES for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine is COc1cc(OC)c(Cl)c(C2=Cc3cnc(Nc4c(C)cccc4[N+](=O)[O-])cc3OC2)c1Cl.
What is the InChIKey of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine?
The InChIKey is RNPNXLZKRUVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O5/c1-12-5-4-6-15(28(29)30)23(12)27-19-9-16-13(10-26-19)7-14(11-33-16)20-21(24)17(31-2)8-18(32-3)22(20)25/h4-10H,11H2,1-3H3,(H,26,27).
What are the key properties of 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine?
3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine has a molecular weight of 488.33 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-3,5-dimethoxyphenyl)-N-(2-methyl-6-nitrophenyl)-2H-pyrano[3,2-c]pyridin-7-amine is sourced from PubChem (CID 141480783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).