6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde

C14H14N2O2 — CID 146162549

IUPAC6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde
SMILESCOc1ccc(CNc2ccc(C=O)cn2)cc1
InChIInChI=1S/C14H14N2O2/c1-18-13-5-2-11(3-6-13)8-15-14-7-4-12(10-17)9-16-14/h2-7,9-10H,8H2,1H3,(H,15,16)
InChIKeyLFOLLWXRHONRNM-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.51
Rot. Bonds5

About 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde

6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde (PubChem CID 146162549) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde
PubChem CID146162549
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde
SMILESCOc1ccc(CNc2ccc(C=O)cn2)cc1
InChIInChI=1S/C14H14N2O2/c1-18-13-5-2-11(3-6-13)8-15-14-7-4-12(10-17)9-16-14/h2-7,9-10H,8H2,1H3,(H,15,16)
InChIKeyLFOLLWXRHONRNM-UHFFFAOYSA-N
XLogP2.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde (CID 146162549) is 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde is COc1ccc(CNc2ccc(C=O)cn2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde?
The InChIKey is LFOLLWXRHONRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-13-5-2-11(3-6-13)8-15-14-7-4-12(10-17)9-16-14/h2-7,9-10H,8H2,1H3,(H,15,16).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde?
6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 146162549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).