2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine

C14H15N3O3 — CID 43706113

IUPAC2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-14-13(4-3-9-15-14)16-10-11-5-7-12(8-6-11)17(18)19/h3-9,16H,2,10H2,1H3
InChIKeyLDXDZHACGSGMRP-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.00
Rot. Bonds6

About 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine

2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine (PubChem CID 43706113) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
PubChem CID43706113
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-14-13(4-3-9-15-14)16-10-11-5-7-12(8-6-11)17(18)19/h3-9,16H,2,10H2,1H3
InChIKeyLDXDZHACGSGMRP-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

2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
2-ethoxy-N-[(5-nitrofuran-2-yl)methyl]pyridin-3-amine
CID 43784052
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
3-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 15567578
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66397464
3-ethoxy-4-[(4-nitrophenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 46868409

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine (CID 43706113) is 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine is CCOc1ncccc1NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
The InChIKey is LDXDZHACGSGMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-14-13(4-3-9-15-14)16-10-11-5-7-12(8-6-11)17(18)19/h3-9,16H,2,10H2,1H3.
What are the key properties of 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine?
2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-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 2-ethoxy-N-[(4-nitrophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 43706113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).