(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine

C15H15N3O3 — CID 87240394

IUPAC(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
SMILESCN(C)/C=C/c1cc(Oc2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-17(2)9-8-12-10-15(16-11-14(12)18(19)20)21-13-6-4-3-5-7-13/h3-11H,1-2H3/b9-8+
InChIKeyBBYFMVBJQSOCFM-CMDGGOBGSA-N
MW285.30 g/mol
LogP3.31
Rot. Bonds5

About (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine

(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine (PubChem CID 87240394) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
PubChem CID87240394
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine
SMILESCN(C)/C=C/c1cc(Oc2ccccc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C15H15N3O3/c1-17(2)9-8-12-10-15(16-11-14(12)18(19)20)21-13-6-4-3-5-7-13/h3-11H,1-2H3/b9-8+
InChIKeyBBYFMVBJQSOCFM-CMDGGOBGSA-N
XLogP3.31
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
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

5-nitro-2,4-diphenoxypyridine
CID 139217922
methyl 4-[(E)-2-(dimethylamino)ethenyl]-5-nitropyridine-2-carboxylate
CID 86602115
(E)-N,N-dimethyl-2-(2-nitrophenyl)ethenamine;ethane;hydrazine
CID 91001187
tert-butyl N-[4-[(E)-2-(dimethylamino)ethenyl]-5-nitro-2-pyridinyl]carbamate
CID 142529079
N,N-dimethyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzenesulfonamide
CID 133329243
5-methyl-3-nitro-2-phenoxypyridine
CID 143610713
2-chloro-5-nitro-4-phenoxypyridine
CID 91620332
(E)-N,N-dimethyl-2-(7-nitro-1H-indazol-4-yl)ethenamine
CID 22165970
4-methyl-5-nitro-2-(4-propan-2-yloxyphenoxy)pyridine
CID 133339789
(Z)-N,N-dimethyl-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)ethenamine
CID 56777234
(E)-2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 59140662
2-(4-iodo-5-methoxy-2-nitrophenyl)-N,N-dimethylethenamine
CID 72526990

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine?
The IUPAC name of (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine (CID 87240394) is (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine.
What is the SMILES notation for (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine?
The canonical SMILES for (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine is CN(C)/C=C/c1cc(Oc2ccccc2)ncc1[N+](=O)[O-].
What is the InChIKey of (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine?
The InChIKey is BBYFMVBJQSOCFM-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17(2)9-8-12-10-15(16-11-14(12)18(19)20)21-13-6-4-3-5-7-13/h3-11H,1-2H3/b9-8+.
What are the key properties of (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine?
(E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine has a molecular weight of 285.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-2-(5-nitro-2-phenoxy-4-pyridinyl)ethenamine is sourced from PubChem (CID 87240394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).