4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile

C15H12N4O3 — CID 750182

IUPAC4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2ccc([N+](=O)[O-])cc2)c(=O)c1C#N
InChIInChI=1S/C15H12N4O3/c1-10-7-11(2)18(15(20)14(10)8-16)17-9-12-3-5-13(6-4-12)19(21)22/h3-7,9H,1-2H3
InChIKeyYASIPATWVIQSKT-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.13
Rot. Bonds3

About 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile (PubChem CID 750182) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
PubChem CID750182
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(N=Cc2ccc([N+](=O)[O-])cc2)c(=O)c1C#N
InChIInChI=1S/C15H12N4O3/c1-10-7-11(2)18(15(20)14(10)8-16)17-9-12-3-5-13(6-4-12)19(21)22/h3-7,9H,1-2H3
InChIKeyYASIPATWVIQSKT-UHFFFAOYSA-N
XLogP2.13
TPSA101.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-1-[(Z)-(4-methylphenyl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5395413
4,6-dimethyl-1-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-2-oxopyridine-3-carbonitrile
CID 5397001
1-[(Z)-(3-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 5397033
1-[(E)-(5-bromothiophen-2-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 6873717
4,6-dimethyl-2-oxo-1-[(E)-pyridin-2-ylmethylideneamino]pyridine-3-carbonitrile
CID 44725249
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351951
1-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 136912710
1-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351963
1-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351966
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 23351931
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
2-[(2,4-dimethyl-6-oxo-1-pyridinyl)iminomethyl]-4-nitrophenolate
CID 2217504

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile (CID 750182) is 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(N=Cc2ccc([N+](=O)[O-])cc2)c(=O)c1C#N.
What is the InChIKey of 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
The InChIKey is YASIPATWVIQSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-10-7-11(2)18(15(20)14(10)8-16)17-9-12-3-5-13(6-4-12)19(21)22/h3-7,9H,1-2H3.
What are the key properties of 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile?
4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile has a molecular weight of 296.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[(4-nitrophenyl)methylideneamino]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 750182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).