N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine

C15H17N3O3 — CID 106900082

IUPACN-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCc1ccc(CNc2nc(OC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O3/c1-3-11-4-6-12(7-5-11)10-16-15-13(18(19)20)8-9-14(17-15)21-2/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyVNEBRTDXGVYZIX-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.17
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine

N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine (PubChem CID 106900082) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
PubChem CID106900082
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
SMILESCCc1ccc(CNc2nc(OC)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C15H17N3O3/c1-3-11-4-6-12(7-5-11)10-16-15-13(18(19)20)8-9-14(17-15)21-2/h4-9H,3,10H2,1-2H3,(H,16,17)
InChIKeyVNEBRTDXGVYZIX-UHFFFAOYSA-N
XLogP3.17
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.17
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

6-methoxy-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 79883257
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
N-[(3-ethyl-2-pyridinyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 82736234
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
6-methoxy-N-[(2-methoxyphenyl)methyl]-3-nitropyridin-2-amine
CID 79881497
N-[(5-chlorothiophen-2-yl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 79883840
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine (CID 106900082) is N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine is CCc1ccc(CNc2nc(OC)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
The InChIKey is VNEBRTDXGVYZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-11-4-6-12(7-5-11)10-16-15-13(18(19)20)8-9-14(17-15)21-2/h4-9H,3,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine?
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine is sourced from PubChem (CID 106900082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).