5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile

C19H15N5O4 — CID 176830626

IUPAC5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1cc(C)c(Oc2nc(-c3cncc(C#N)c3)ccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C19H15N5O4/c1-11-6-17(27-3)22-12(2)18(11)28-19-16(24(25)26)5-4-15(23-19)14-7-13(8-20)9-21-10-14/h4-7,9-10H,1-3H3
InChIKeyXECZUACBGPJAHF-UHFFFAOYSA-N
MW377.36 g/mol
LogP3.74
Rot. Bonds5

About 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile

5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 176830626) has the molecular formula C19H15N5O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
PubChem CID176830626
Molecular FormulaC19H15N5O4
Molecular Weight377.36 g/mol
Exact Mass377.11
IUPAC Name5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
SMILESCOc1cc(C)c(Oc2nc(-c3cncc(C#N)c3)ccc2[N+](=O)[O-])c(C)n1
InChIInChI=1S/C19H15N5O4/c1-11-6-17(27-3)22-12(2)18(11)28-19-16(24(25)26)5-4-15(23-19)14-7-13(8-20)9-21-10-14/h4-7,9-10H,1-3H3
InChIKeyXECZUACBGPJAHF-UHFFFAOYSA-N
XLogP3.74
TPSA124.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile
CID 176830833
6-(5-cyano-3-pyridinyl)-2-[4-cyclopropyl-2-(difluoromethyl)-6-methylpyrimidin-5-yl]oxy-N-methylpyridine-3-sulfonamide
CID 176830572
4-methoxy-3-methyl-5-nitrobenzonitrile
CID 171031480
N-[6-(5-cyano-3-pyridinyl)-2-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidin-5-yl]oxy-3-pyridinyl]methanesulfonamide
CID 176830686
5-[6-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-5-morpholin-4-ylsulfonyl-2-pyridinyl]pyridine-3-carbonitrile
CID 176830925
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830776
5-[6-[2-(2,5-dioxoimidazolidin-4-yl)ethynyl]-5-methoxy-2-pyridinyl]pyridine-3-carbonitrile
CID 143991068
3-[(6-methoxy-3-nitro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 115323377
2-(2-bromo-4-methylphenoxy)-6-methoxy-3-nitropyridine
CID 115321316
4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile (CID 176830626) is 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile is COc1cc(C)c(Oc2nc(-c3cncc(C#N)c3)ccc2[N+](=O)[O-])c(C)n1.
What is the InChIKey of 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is XECZUACBGPJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4/c1-11-6-17(27-3)22-12(2)18(11)28-19-16(24(25)26)5-4-15(23-19)14-7-13(8-20)9-21-10-14/h4-7,9-10H,1-3H3.
What are the key properties of 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile?
5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 377.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(6-methoxy-2,4-dimethyl-3-pyridinyl)oxy]-5-nitro-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 176830626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).