1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde

C14H16N2O — CID 150218936

IUPAC1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde
SMILESCN(C)N1C=CC=C(C=O)C1c1ccccc1
InChIInChI=1S/C14H16N2O/c1-15(2)16-10-6-9-13(11-17)14(16)12-7-4-3-5-8-12/h3-11,14H,1-2H3
InChIKeyFTBJLNKYVHKWSQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.16
Rot. Bonds3

About 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde

1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde (PubChem CID 150218936) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde
PubChem CID150218936
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde
SMILESCN(C)N1C=CC=C(C=O)C1c1ccccc1
InChIInChI=1S/C14H16N2O/c1-15(2)16-10-6-9-13(11-17)14(16)12-7-4-3-5-8-12/h3-11,14H,1-2H3
InChIKeyFTBJLNKYVHKWSQ-UHFFFAOYSA-N
XLogP2.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
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 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde?
The IUPAC name of 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde (CID 150218936) is 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde is CN(C)N1C=CC=C(C=O)C1c1ccccc1.
What is the InChIKey of 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde?
The InChIKey is FTBJLNKYVHKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15(2)16-10-6-9-13(11-17)14(16)12-7-4-3-5-8-12/h3-11,14H,1-2H3.
What are the key properties of 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde?
1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde has a molecular weight of 228.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-phenyl-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 150218936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).