6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde

C14H14N2O2 — CID 80638947

IUPAC6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
SMILESCOc1ccc(N(C)c2ccc(C=O)cn2)cc1
InChIInChI=1S/C14H14N2O2/c1-16(12-4-6-13(18-2)7-5-12)14-8-3-11(10-17)9-15-14/h3-10H,1-2H3
InChIKeyMZLAMDHKOSJULY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.67
Rot. Bonds4

About 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde

6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde (PubChem CID 80638947) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
PubChem CID80638947
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
SMILESCOc1ccc(N(C)c2ccc(C=O)cn2)cc1
InChIInChI=1S/C14H14N2O2/c1-16(12-4-6-13(18-2)7-5-12)14-8-3-11(10-17)9-15-14/h3-10H,1-2H3
InChIKeyMZLAMDHKOSJULY-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
6-[ethyl(methyl)amino]pyridine-3-carbaldehyde
CID 76848692
2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
CID 80653743
4-[N-(4-formylphenyl)-4-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methyl]anilino]benzaldehyde
CID 58214212
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
6-(N,2-dimethylanilino)pyridine-3-carbaldehyde
CID 80637845
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
4-(N-(4-formylphenyl)anilino)benzaldehyde;4-methoxy-N-(4-methoxyphenyl)-N-phenylaniline;propane
CID 123717319
3-bromo-4-(4-methoxy-N-methylanilino)benzaldehyde
CID 114062202
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
6-methoxypyridine-3-carbaldehyde
CID 3364576

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde (CID 80638947) is 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde is COc1ccc(N(C)c2ccc(C=O)cn2)cc1.
What is the InChIKey of 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde?
The InChIKey is MZLAMDHKOSJULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-16(12-4-6-13(18-2)7-5-12)14-8-3-11(10-17)9-15-14/h3-10H,1-2H3.
What are the key properties of 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde?
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde is sourced from PubChem (CID 80638947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).