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

C16H16N2O2 — CID 144656498

IUPAC3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde
SMILESC=Cc1cc(CNc2cnccc2C=O)ccc1OC
InChIInChI=1S/C16H16N2O2/c1-3-13-8-12(4-5-16(13)20-2)9-18-15-10-17-7-6-14(15)11-19/h3-8,10-11,18H,1,9H2,2H3
InChIKeyASOFXHLUKSXPHH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.16
Rot. Bonds6

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

3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde (PubChem CID 144656498) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde
PubChem CID144656498
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde
SMILESC=Cc1cc(CNc2cnccc2C=O)ccc1OC
InChIInChI=1S/C16H16N2O2/c1-3-13-8-12(4-5-16(13)20-2)9-18-15-10-17-7-6-14(15)11-19/h3-8,10-11,18H,1,9H2,2H3
InChIKeyASOFXHLUKSXPHH-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde
CID 144656441
3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol
CID 144656440
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
3-ethenyl-4-methoxypyridine
CID 56972695
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methoxybenzonitrile
CID 65335926
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254
N-cyclopentyl-2-(3-ethenyl-4-methoxyphenyl)acetamide
CID 176516153
2-methoxy-5-(1,3-thiazol-2-ylmethyl)benzaldehyde
CID 79823849
5-fluoro-2-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 82539421
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
CID 142430528
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43686524

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde?
The IUPAC name of 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde (CID 144656498) is 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde?
The canonical SMILES for 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde is C=Cc1cc(CNc2cnccc2C=O)ccc1OC.
What is the InChIKey of 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde?
The InChIKey is ASOFXHLUKSXPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-3-13-8-12(4-5-16(13)20-2)9-18-15-10-17-7-6-14(15)11-19/h3-8,10-11,18H,1,9H2,2H3.
What are the key properties of 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde?
3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde has a molecular weight of 268.32 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde is sourced from PubChem (CID 144656498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).