(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone

C19H15N3O4 — CID 22724521

IUPAC(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(Nc3ncccc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H15N3O4/c1-26-16-9-7-13(8-10-16)18(23)14-4-2-5-15(12-14)21-19-17(22(24)25)6-3-11-20-19/h2-12H,1H3,(H,20,21)
InChIKeyHTWSNNNBXREVKB-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.97
Rot. Bonds6

About (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone

(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone (PubChem CID 22724521) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
PubChem CID22724521
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone
SMILESCOc1ccc(C(=O)c2cccc(Nc3ncccc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H15N3O4/c1-26-16-9-7-13(8-10-16)18(23)14-4-2-5-15(12-14)21-19-17(22(24)25)6-3-11-20-19/h2-12H,1H3,(H,20,21)
InChIKeyHTWSNNNBXREVKB-UHFFFAOYSA-N
XLogP3.97
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[3-[(3-nitro-2-pyridinyl)amino]phenyl]-phenylmethanone
CID 22724326
2-bromo-1-[4-[(3-nitro-2-pyridinyl)amino]phenyl]ethanone
CID 118366402
N-(3,5-difluoro-4-methoxyphenyl)-3-nitropyridin-2-amine
CID 47059552
methyl 2-[2-methyl-4-[(3-nitro-2-pyridinyl)amino]phenyl]acetate
CID 67021570
ethyl 3-[[6-(4-methoxyanilino)-5-nitropyrimidin-4-yl]amino]benzoate
CID 22533444
3-nitro-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 178120441
ethyl 2-(4-aminophenyl)-2-oxoacetate;ethyl 2-[4-[(3-nitro-2-pyridinyl)amino]phenyl]-2-oxoacetate
CID 160882422
N-(4,5-dimethoxy-2-methylphenyl)-3-nitropyridin-2-amine
CID 40677036
3-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]pyridin-2-amine
CID 42950464
2-[[4-[(3-nitro-2-pyridinyl)amino]benzoyl]amino]acetic acid
CID 28854164
2-[(3-methoxyphenyl)methyl]-1-(3-nitro-2-pyridinyl)guanidine
CID 100574288
methyl 6-(3-bromoanilino)-5-nitropyridine-2-carboxylate
CID 114403475

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
The IUPAC name of (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone (CID 22724521) is (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone is COc1ccc(C(=O)c2cccc(Nc3ncccc3[N+](=O)[O-])c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
The InChIKey is HTWSNNNBXREVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c1-26-16-9-7-13(8-10-16)18(23)14-4-2-5-15(12-14)21-19-17(22(24)25)6-3-11-20-19/h2-12H,1H3,(H,20,21).
What are the key properties of (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone?
(4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone has a molecular weight of 349.35 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[3-[(3-nitro-2-pyridinyl)amino]phenyl]methanone is sourced from PubChem (CID 22724521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).