2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde

C18H20N2O — CID 142417877

IUPAC2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
SMILESC/C=C(\NC)c1cc(C=O)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C18H20N2O/c1-4-16(19-3)18-11-14(12-21)10-17(20-18)13(2)15-8-6-5-7-9-15/h4-13,19H,1-3H3/b16-4-
InChIKeyYYCNEVJJPVMXSR-XRVIQIRUSA-N
MW280.37 g/mol
LogP3.63
Rot. Bonds5

About 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde

2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde (PubChem CID 142417877) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
PubChem CID142417877
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde
SMILESC/C=C(\NC)c1cc(C=O)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C18H20N2O/c1-4-16(19-3)18-11-14(12-21)10-17(20-18)13(2)15-8-6-5-7-9-15/h4-13,19H,1-3H3/b16-4-
InChIKeyYYCNEVJJPVMXSR-XRVIQIRUSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
The IUPAC name of 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde (CID 142417877) is 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde is C/C=C(\NC)c1cc(C=O)cc(C(C)c2ccccc2)n1.
What is the InChIKey of 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
The InChIKey is YYCNEVJJPVMXSR-XRVIQIRUSA-N. The full InChI is InChI=1S/C18H20N2O/c1-4-16(19-3)18-11-14(12-21)10-17(20-18)13(2)15-8-6-5-7-9-15/h4-13,19H,1-3H3/b16-4-.
What are the key properties of 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde?
2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde has a molecular weight of 280.37 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(methylamino)prop-1-enyl]-6-(1-phenylethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 142417877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).