4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde

C19H19NO — CID 88882425

IUPAC4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde
SMILESC[C@H](c1cccc2ccccc12)N1C=CC(C)(C=O)C=C1
InChIInChI=1S/C19H19NO/c1-15(20-12-10-19(2,14-21)11-13-20)17-9-5-7-16-6-3-4-8-18(16)17/h3-15H,1-2H3/t15-/m1/s1
InChIKeyINXDQCDIZHTFOV-OAHLLOKOSA-N
MW277.37 g/mol
LogP4.45
Rot. Bonds3

About 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde

4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde (PubChem CID 88882425) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde
PubChem CID88882425
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde
SMILESC[C@H](c1cccc2ccccc12)N1C=CC(C)(C=O)C=C1
InChIInChI=1S/C19H19NO/c1-15(20-12-10-19(2,14-21)11-13-20)17-9-5-7-16-6-3-4-8-18(16)17/h3-15H,1-2H3/t15-/m1/s1
InChIKeyINXDQCDIZHTFOV-OAHLLOKOSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde?
The IUPAC name of 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde (CID 88882425) is 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde?
The canonical SMILES for 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde is C[C@H](c1cccc2ccccc12)N1C=CC(C)(C=O)C=C1.
What is the InChIKey of 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde?
The InChIKey is INXDQCDIZHTFOV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19NO/c1-15(20-12-10-19(2,14-21)11-13-20)17-9-5-7-16-6-3-4-8-18(16)17/h3-15H,1-2H3/t15-/m1/s1.
What are the key properties of 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde?
4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde has a molecular weight of 277.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 88882425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).