(E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine

C30H40N4 — CID 170021265

IUPAC(E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(C3=CC(C)(C)NC(C)(C)C3)C=CC2=N1
InChIInChI=1S/C30H40N4/c1-9-20(2)21(3)15-25(31-8)26-16-27(22-11-10-12-22)34-19-23(13-14-28(34)32-26)24-17-29(4,5)33-30(6,7)18-24/h13-17,19,33H,2,9-12,18H2,1,3-8H3/b21-15+,31-25+
InChIKeyYSEWYNBHKKCCNL-ZJWVXYDPSA-N
MW456.68 g/mol
LogP6.94
Rot. Bonds5

About (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine

(E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine (PubChem CID 170021265) has the molecular formula C30H40N4 and a molecular weight of 456.68 g/mol. Its IUPAC name is (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
PubChem CID170021265
Molecular FormulaC30H40N4
Molecular Weight456.68 g/mol
Exact Mass456.33
IUPAC Name(E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
SMILESC=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(C3=CC(C)(C)NC(C)(C)C3)C=CC2=N1
InChIInChI=1S/C30H40N4/c1-9-20(2)21(3)15-25(31-8)26-16-27(22-11-10-12-22)34-19-23(13-14-28(34)32-26)24-17-29(4,5)33-30(6,7)18-24/h13-17,19,33H,2,9-12,18H2,1,3-8H3/b21-15+,31-25+
InChIKeyYSEWYNBHKKCCNL-ZJWVXYDPSA-N
XLogP6.94
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine 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)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
The IUPAC name of (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine (CID 170021265) is (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine.
What is the SMILES notation for (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
The canonical SMILES for (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine is C=C(CC)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(C3=CC(C)(C)NC(C)(C)C3)C=CC2=N1.
What is the InChIKey of (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
The InChIKey is YSEWYNBHKKCCNL-ZJWVXYDPSA-N. The full InChI is InChI=1S/C30H40N4/c1-9-20(2)21(3)15-25(31-8)26-16-27(22-11-10-12-22)34-19-23(13-14-28(34)32-26)24-17-29(4,5)33-30(6,7)18-24/h13-17,19,33H,2,9-12,18H2,1,3-8H3/b21-15+,31-25+.
What are the key properties of (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine?
(E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine has a molecular weight of 456.68 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-cyclobutylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine is sourced from PubChem (CID 170021265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).