6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile

C20H15N3O4 — CID 2765304

IUPAC6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H15N3O4/c1-27-18-9-4-15(5-10-18)19-11-6-16(12-21)20(24)22(19)13-14-2-7-17(8-3-14)23(25)26/h2-11H,13H2,1H3
InChIKeyIRERSTOCJGZYKD-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.35
Rot. Bonds5

About 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile

6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 2765304) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID2765304
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H15N3O4/c1-27-18-9-4-15(5-10-18)19-11-6-16(12-21)20(24)22(19)13-14-2-7-17(8-3-14)23(25)26/h2-11H,13H2,1H3
InChIKeyIRERSTOCJGZYKD-UHFFFAOYSA-N
XLogP3.35
TPSA98.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
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

1-(2-aminoethyl)-6-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82146449
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
2-[(4-methoxyphenyl)methyl]-3-(4-nitrophenyl)-1-oxidopyrazol-1-ium
CID 10936258
1,3-bis[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyrimidine-2,4-dione
CID 87725856
6-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]pyridin-2-one
CID 24730405
1,3-bis[(4-methoxyphenyl)methyl]-5-nitropyrimidine-2,4-dione
CID 143044407
4-[(4-fluorophenyl)methyliminomethyl]-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one
CID 2909760
1-cyclopropyl-6-(4-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82516957
5,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methyl]pyridazin-3-one
CID 18369357
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
1-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]imidazolidine-2,4,5-trione
CID 8597408
6-(4-chlorophenyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 82519215

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 2765304) is 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(=O)n2Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is IRERSTOCJGZYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-27-18-9-4-15(5-10-18)19-11-6-16(12-21)20(24)22(19)13-14-2-7-17(8-3-14)23(25)26/h2-11H,13H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile?
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 361.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2765304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).