6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine

C14H15N3O4 — CID 71523738

IUPAC6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc(N(C)c2nc(OC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4/c1-16(10-4-6-11(20-2)7-5-10)14-12(17(18)19)8-9-13(15-14)21-3/h4-9H,1-3H3
InChIKeyDMDKMHAGPCBGEF-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.77
Rot. Bonds5

About 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine

6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine (PubChem CID 71523738) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
PubChem CID71523738
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine
SMILESCOc1ccc(N(C)c2nc(OC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O4/c1-16(10-4-6-11(20-2)7-5-10)14-12(17(18)19)8-9-13(15-14)21-3/h4-9H,1-3H3
InChIKeyDMDKMHAGPCBGEF-UHFFFAOYSA-N
XLogP2.77
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-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 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine (CID 71523738) is 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine is COc1ccc(N(C)c2nc(OC)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
The InChIKey is DMDKMHAGPCBGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-16(10-4-6-11(20-2)7-5-10)14-12(17(18)19)8-9-13(15-14)21-3/h4-9H,1-3H3.
What are the key properties of 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine?
6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine has a molecular weight of 289.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methoxyphenyl)-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 71523738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).