N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine

C15H17N3O3 — CID 133287452

IUPACN-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
SMILESCOc1ccc(CCCNc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H17N3O3/c1-21-14-7-4-12(5-8-14)3-2-10-16-15-9-6-13(11-17-15)18(19)20/h4-9,11H,2-3,10H2,1H3,(H,16,17)
InChIKeyZTAUPUJMUNREJB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.04
Rot. Bonds7

About N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine

N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine (PubChem CID 133287452) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
PubChem CID133287452
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
SMILESCOc1ccc(CCCNc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H17N3O3/c1-21-14-7-4-12(5-8-14)3-2-10-16-15-9-6-13(11-17-15)18(19)20/h4-9,11H,2-3,10H2,1H3,(H,16,17)
InChIKeyZTAUPUJMUNREJB-UHFFFAOYSA-N
XLogP3.04
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
5-nitro-N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]pyridin-2-amine
CID 11271755
N-[3-(2-methoxyethoxy)propyl]-5-nitropyridin-2-amine
CID 103604260
N',N'-diethyl-N-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 28538897
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 27818248
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine (CID 133287452) is N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine is COc1ccc(CCCNc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
The InChIKey is ZTAUPUJMUNREJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-14-7-4-12(5-8-14)3-2-10-16-15-9-6-13(11-17-15)18(19)20/h4-9,11H,2-3,10H2,1H3,(H,16,17).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine?
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 133287452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).