N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine

C14H15N3O3 — CID 71523737

IUPACN-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine
SMILESCOc1ccc(N(C)c2nc(C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-10-4-9-13(17(18)19)14(15-10)16(2)11-5-7-12(20-3)8-6-11/h4-9H,1-3H3
InChIKeyHVLDLIUZYYWVOI-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.07
Rot. Bonds4

About N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine

N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine (PubChem CID 71523737) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine
PubChem CID71523737
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine
SMILESCOc1ccc(N(C)c2nc(C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-10-4-9-13(17(18)19)14(15-10)16(2)11-5-7-12(20-3)8-6-11/h4-9H,1-3H3
InChIKeyHVLDLIUZYYWVOI-UHFFFAOYSA-N
XLogP3.07
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.07
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine (CID 71523737) is N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine is COc1ccc(N(C)c2nc(C)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine?
The InChIKey is HVLDLIUZYYWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-4-9-13(17(18)19)14(15-10)16(2)11-5-7-12(20-3)8-6-11/h4-9H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine?
N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,6-dimethyl-3-nitropyridin-2-amine is sourced from PubChem (CID 71523737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).