(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile

C25H24N4O2 — CID 6480053

IUPAC(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(/C#N)c2cccnc2)c1
InChIInChI=1S/C25H24N4O2/c1-5-21-16(2)28-25(31)23(29(3)4)22(21)24(30)18-9-6-8-17(12-18)13-20(14-26)19-10-7-11-27-15-19/h6-13,15H,5H2,1-4H3,(H,28,31)/b20-13-
InChIKeyMZURJJDRIVDHBD-MOSHPQCFSA-N
MW412.49 g/mol
LogP4.00
Rot. Bonds6

About (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile

(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile (PubChem CID 6480053) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile
PubChem CID6480053
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(/C#N)c2cccnc2)c1
InChIInChI=1S/C25H24N4O2/c1-5-21-16(2)28-25(31)23(29(3)4)22(21)24(30)18-9-6-8-17(12-18)13-20(14-26)19-10-7-11-27-15-19/h6-13,15H,5H2,1-4H3,(H,28,31)/b20-13-
InChIKeyMZURJJDRIVDHBD-MOSHPQCFSA-N
XLogP4.00
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile?
The IUPAC name of (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile (CID 6480053) is (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(/C#N)c2cccnc2)c1.
What is the InChIKey of (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile?
The InChIKey is MZURJJDRIVDHBD-MOSHPQCFSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-5-21-16(2)28-25(31)23(29(3)4)22(21)24(30)18-9-6-8-17(12-18)13-20(14-26)19-10-7-11-27-15-19/h6-13,15H,5H2,1-4H3,(H,28,31)/b20-13-.
What are the key properties of (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile?
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile has a molecular weight of 412.49 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile is sourced from PubChem (CID 6480053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).