1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile

C17H18N4O — CID 6861451

IUPAC1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C/c2ccc(N(C)C)cc2)c(=O)c1C#N
InChIInChI=1S/C17H18N4O/c1-12-9-13(2)21(17(22)16(12)10-18)19-11-14-5-7-15(8-6-14)20(3)4/h5-9,11H,1-4H3/b19-11+
InChIKeyFGUBHURGADNLFW-YBFXNURJSA-N
MW294.36 g/mol
LogP2.29
Rot. Bonds3

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

1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 6861451) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID6861451
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(C)n(/N=C/c2ccc(N(C)C)cc2)c(=O)c1C#N
InChIInChI=1S/C17H18N4O/c1-12-9-13(2)21(17(22)16(12)10-18)19-11-14-5-7-15(8-6-14)20(3)4/h5-9,11H,1-4H3/b19-11+
InChIKeyFGUBHURGADNLFW-YBFXNURJSA-N
XLogP2.29
TPSA61.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile (CID 6861451) is 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(C)n(/N=C/c2ccc(N(C)C)cc2)c(=O)c1C#N.
What is the InChIKey of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is FGUBHURGADNLFW-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-9-13(2)21(17(22)16(12)10-18)19-11-14-5-7-15(8-6-14)20(3)4/h5-9,11H,1-4H3/b19-11+.
What are the key properties of 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile?
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 6861451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).