N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine

C13H13N3O3 — CID 104536674

IUPACN-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
SMILESCNc1cncc(Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O3/c1-9-3-4-13(12(5-9)16(17)18)19-11-6-10(14-2)7-15-8-11/h3-8,14H,1-2H3
InChIKeyWJWZONNTTPCVSU-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.13
Rot. Bonds4

About N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine

N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine (PubChem CID 104536674) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
PubChem CID104536674
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
SMILESCNc1cncc(Oc2ccc(C)cc2[N+](=O)[O-])c1
InChIInChI=1S/C13H13N3O3/c1-9-3-4-13(12(5-9)16(17)18)19-11-6-10(14-2)7-15-8-11/h3-8,14H,1-2H3
InChIKeyWJWZONNTTPCVSU-UHFFFAOYSA-N
XLogP3.13
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
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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Related Compounds

5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
CID 104536675
5-(5-methoxy-2-nitrophenoxy)-N-methylpyridin-3-amine
CID 102703875
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
1-(4-fluorophenoxy)-4-methyl-2-nitrobenzene
CID 133413588
5-(4-chloro-2-nitrophenoxy)-N-ethylpyridin-3-amine
CID 104536170
N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80870457
5-(2,6-dibromo-4-nitrophenoxy)-N-methylpyridin-3-amine
CID 104536753
5-(2,3-dimethylphenoxy)-N-methylpyridin-3-amine
CID 104536353
N-methyl-5-(2,3,5-trimethylphenoxy)pyridin-3-amine
CID 104536514
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
1-[4-(chloromethyl)phenoxy]-4-methyl-2-nitrobenzene
CID 61312029
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 83124582

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
The IUPAC name of N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine (CID 104536674) is N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine.
What is the SMILES notation for N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
The canonical SMILES for N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine is CNc1cncc(Oc2ccc(C)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
The InChIKey is WJWZONNTTPCVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-3-4-13(12(5-9)16(17)18)19-11-6-10(14-2)7-15-8-11/h3-8,14H,1-2H3.
What are the key properties of N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine?
N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine has a molecular weight of 259.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine is sourced from PubChem (CID 104536674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).