4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide

C22H25N3O2 — CID 142517634

IUPAC4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide
SMILESC/C=C(\N=C\C(NC(=O)c1ccc(OC)cc1)=C(/C)CC)c1ccccn1
InChIInChI=1S/C22H25N3O2/c1-5-16(3)21(15-24-19(6-2)20-9-7-8-14-23-20)25-22(26)17-10-12-18(27-4)13-11-17/h6-15H,5H2,1-4H3,(H,25,26)/b19-6-,21-16-,24-15+
InChIKeyDKNGDJDTPKNPFL-GSTJTIBLSA-N
MW363.46 g/mol
LogP4.64
Rot. Bonds7

About 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide

4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide (PubChem CID 142517634) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide
PubChem CID142517634
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide
SMILESC/C=C(\N=C\C(NC(=O)c1ccc(OC)cc1)=C(/C)CC)c1ccccn1
InChIInChI=1S/C22H25N3O2/c1-5-16(3)21(15-24-19(6-2)20-9-7-8-14-23-20)25-22(26)17-10-12-18(27-4)13-11-17/h6-15H,5H2,1-4H3,(H,25,26)/b19-6-,21-16-,24-15+
InChIKeyDKNGDJDTPKNPFL-GSTJTIBLSA-N
XLogP4.64
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide (CID 142517634) is 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide is C/C=C(\N=C\C(NC(=O)c1ccc(OC)cc1)=C(/C)CC)c1ccccn1.
What is the InChIKey of 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide?
The InChIKey is DKNGDJDTPKNPFL-GSTJTIBLSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-16(3)21(15-24-19(6-2)20-9-7-8-14-23-20)25-22(26)17-10-12-18(27-4)13-11-17/h6-15H,5H2,1-4H3,(H,25,26)/b19-6-,21-16-,24-15+.
What are the key properties of 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide?
4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-3-methyl-1-[(Z)-1-pyridin-2-ylprop-1-enyl]iminopent-2-en-2-yl]benzamide is sourced from PubChem (CID 142517634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).