N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine

C14H15N3O3 — CID 133327275

IUPACN-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
SMILESCCOCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-10-11-5-7-12(8-6-11)16-14-13(17(18)19)4-3-9-15-14/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyGLQUPEXTQRNEKM-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.27
Rot. Bonds6

About N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine

N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine (PubChem CID 133327275) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
PubChem CID133327275
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine
SMILESCCOCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-10-11-5-7-12(8-6-11)16-14-13(17(18)19)4-3-9-15-14/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyGLQUPEXTQRNEKM-UHFFFAOYSA-N
XLogP3.27
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.27
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

ethyl 2-(4-aminophenyl)-2-oxoacetate;ethyl 2-[4-[(3-nitro-2-pyridinyl)amino]phenyl]-2-oxoacetate
CID 160882422
N,N-dimethyl-3-[4-[4-[(3-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanamide
CID 69163328
3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 178120441
2-bromo-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366402
3-nitro-N-phenylmethoxypyridin-2-amine
CID 9108958
(2R)-2-amino-N,N-dimethyl-3-[4-[4-[(3-nitro-2-pyridinyl)amino]phenoxy]phenyl]propanamide;dihydrochloride
CID 25142890
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
N-methyl-3-nitropyridin-2-amine
CID 556349
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
2-[[4-[(3-nitro-2-pyridinyl)amino]benzoyl]amino]acetic acid
CID 28854164
N-[2-(4-ethylphenyl)ethyl]-3-nitropyridin-2-amine
CID 133304898
N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitropyridin-2-amine
CID 9110580

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine (CID 133327275) is N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine is CCOCc1ccc(Nc2ncccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine?
The InChIKey is GLQUPEXTQRNEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-10-11-5-7-12(8-6-11)16-14-13(17(18)19)4-3-9-15-14/h3-9H,2,10H2,1H3,(H,15,16).
What are the key properties of N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine?
N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethoxymethyl)phenyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 133327275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).