N-ethyl-2-(3-nitrophenyl)pyridin-4-amine

C13H13N3O2 — CID 102824677

IUPACN-ethyl-2-(3-nitrophenyl)pyridin-4-amine
SMILESCCNc1ccnc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H13N3O2/c1-2-14-11-6-7-15-13(9-11)10-4-3-5-12(8-10)16(17)18/h3-9H,2H2,1H3,(H,14,15)
InChIKeyGIZCDXOIKBYQGA-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.09
Rot. Bonds4

About N-ethyl-2-(3-nitrophenyl)pyridin-4-amine

N-ethyl-2-(3-nitrophenyl)pyridin-4-amine (PubChem CID 102824677) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-ethyl-2-(3-nitrophenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-nitrophenyl)pyridin-4-amine
PubChem CID102824677
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-ethyl-2-(3-nitrophenyl)pyridin-4-amine
SMILESCCNc1ccnc(-c2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H13N3O2/c1-2-14-11-6-7-15-13(9-11)10-4-3-5-12(8-10)16(17)18/h3-9H,2H2,1H3,(H,14,15)
InChIKeyGIZCDXOIKBYQGA-UHFFFAOYSA-N
XLogP3.09
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(ethylamino)-N-(3-nitrophenyl)pyridine-2-carboxamide
CID 62166120
bis[2-(3-nitrophenyl)-4-pyridinyl]methanone
CID 141011336
2-(3-cyclopropyloxyphenyl)-N-ethylpyridin-4-amine
CID 102825016
N-ethyl-2-(4-propan-2-ylphenyl)pyridin-4-amine
CID 102824735
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
5-bromo-N-ethyl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 66305276
5-ethoxy-2-(3-nitrophenyl)pyridine-4-carbonitrile
CID 132589086
N-(4-fluorophenyl)-4-(3-nitrophenyl)pyrimidin-2-amine
CID 11673977
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
4-(ethylaminomethyl)-2-methyl-6-(3-nitrophenyl)pyridazin-3-one
CID 82444570
6-methyl-2-(3-nitrophenyl)-1-oxidopyrimidin-1-ium
CID 39869782
N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]acetamide
CID 71934897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-nitrophenyl)pyridin-4-amine?
The IUPAC name of N-ethyl-2-(3-nitrophenyl)pyridin-4-amine (CID 102824677) is N-ethyl-2-(3-nitrophenyl)pyridin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-nitrophenyl)pyridin-4-amine?
The canonical SMILES for N-ethyl-2-(3-nitrophenyl)pyridin-4-amine is CCNc1ccnc(-c2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of N-ethyl-2-(3-nitrophenyl)pyridin-4-amine?
The InChIKey is GIZCDXOIKBYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-14-11-6-7-15-13(9-11)10-4-3-5-12(8-10)16(17)18/h3-9H,2H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2-(3-nitrophenyl)pyridin-4-amine?
N-ethyl-2-(3-nitrophenyl)pyridin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-nitrophenyl)pyridin-4-amine is sourced from PubChem (CID 102824677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).