N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine

C13H12N4O3 — CID 6254768

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
SMILESCOc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H12N4O3/c1-20-12-5-3-2-4-10(12)8-15-16-13-7-6-11(9-14-13)17(18)19/h2-9H,1H3,(H,14,16)/b15-8-
InChIKeyXXVYWFBEVMZBQI-NVNXTCNLSA-N
MW272.26 g/mol
LogP2.44
Rot. Bonds5

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine

N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine (PubChem CID 6254768) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
PubChem CID6254768
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine
SMILESCOc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H12N4O3/c1-20-12-5-3-2-4-10(12)8-15-16-13-7-6-11(9-14-13)17(18)19/h2-9H,1H3,(H,14,16)/b15-8-
InChIKeyXXVYWFBEVMZBQI-NVNXTCNLSA-N
XLogP2.44
TPSA89.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine (CID 6254768) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine is COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
The InChIKey is XXVYWFBEVMZBQI-NVNXTCNLSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-20-12-5-3-2-4-10(12)8-15-16-13-7-6-11(9-14-13)17(18)19/h2-9H,1H3,(H,14,16)/b15-8-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine has a molecular weight of 272.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-5-nitropyridin-2-amine is sourced from PubChem (CID 6254768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).