N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine

C14H15N3O3 — CID 60964362

IUPACN-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine
SMILESCCOc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1
InChIInChI=1S/C14H15N3O3/c1-2-20-13-5-3-4-11(8-13)9-15-12-6-7-14(16-10-12)17(18)19/h3-8,10,15H,2,9H2,1H3
InChIKeyXGZBCUYXIUHVFW-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.00
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine

N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine (PubChem CID 60964362) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine
PubChem CID60964362
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine
SMILESCCOc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1
InChIInChI=1S/C14H15N3O3/c1-2-20-13-5-3-4-11(8-13)9-15-12-6-7-14(16-10-12)17(18)19/h3-8,10,15H,2,9H2,1H3
InChIKeyXGZBCUYXIUHVFW-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

N-benzyl-6-nitropyridin-3-amine
CID 55024435
4-chloro-N-[(3-ethoxyphenyl)methyl]-3-nitroaniline
CID 60872179
3-[[(6-nitro-3-pyridinyl)amino]methyl]benzoic acid
CID 60894072
3-ethoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80724171
N-[(3,4-difluorophenyl)methyl]-6-nitropyridin-3-amine
CID 55070897
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
N-[(3-ethoxyphenyl)methyl]-2-fluoro-4-nitroaniline
CID 60872206
3-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
N,N-dimethyl-2-[3-[(4-nitroanilino)methyl]phenoxy]acetamide
CID 52679230
5-[(3-ethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866082
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine (CID 60964362) is N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine is CCOc1cccc(CNc2ccc([N+](=O)[O-])nc2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine?
The InChIKey is XGZBCUYXIUHVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-13-5-3-4-11(8-13)9-15-12-6-7-14(16-10-12)17(18)19/h3-8,10,15H,2,9H2,1H3.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine?
N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine has a molecular weight of 273.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-6-nitropyridin-3-amine is sourced from PubChem (CID 60964362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).