3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol

C17H22N2O3 — CID 144656440

IUPAC3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol
SMILESCCc1ccc(CNc2cnccc2C=O)cc1OC.CO
InChIInChI=1S/C16H18N2O2.CH4O/c1-3-13-5-4-12(8-16(13)20-2)9-18-15-10-17-7-6-14(15)11-19;1-2/h4-8,10-11,18H,3,9H2,1-2H3;2H,1H3
InChIKeyOGJHTEPYTJQPMY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.69
Rot. Bonds6

About 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol

3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol (PubChem CID 144656440) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol.

Molecular Properties

Compound Name3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol
PubChem CID144656440
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol
SMILESCCc1ccc(CNc2cnccc2C=O)cc1OC.CO
InChIInChI=1S/C16H18N2O2.CH4O/c1-3-13-5-4-12(8-16(13)20-2)9-18-15-10-17-7-6-14(15)11-19;1-2/h4-8,10-11,18H,3,9H2,1-2H3;2H,1H3
InChIKeyOGJHTEPYTJQPMY-UHFFFAOYSA-N
XLogP2.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-ethenyl-4-methoxyphenyl)methylamino]pyridine-4-carbaldehyde
CID 144656498
2-(4-ethyl-3-methoxyphenyl)acetaldehyde
CID 87726186
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 63329564
N-[(3-bromo-4-methoxyphenyl)methyl]-4-chloropyridin-3-amine
CID 83167833
2-ethoxy-4-[[(4-methyl-3-pyridinyl)amino]methyl]phenol
CID 63329273
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methoxybenzonitrile
CID 65335926
3-[[(4S)-7-cyclopropyl-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carbaldehyde;ethane;methanol
CID 144656504
4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
CID 96603971
2-ethyl-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 126123547
N-ethyl-N-[[3-methoxy-4-[(pyridin-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746117
4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 63329305

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol?
The IUPAC name of 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol (CID 144656440) is 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol.
What is the SMILES notation for 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol?
The canonical SMILES for 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol is CCc1ccc(CNc2cnccc2C=O)cc1OC.CO.
What is the InChIKey of 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol?
The InChIKey is OGJHTEPYTJQPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.CH4O/c1-3-13-5-4-12(8-16(13)20-2)9-18-15-10-17-7-6-14(15)11-19;1-2/h4-8,10-11,18H,3,9H2,1-2H3;2H,1H3.
What are the key properties of 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol?
3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol has a molecular weight of 302.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-3-methoxyphenyl)methylamino]pyridine-4-carbaldehyde;methanol is sourced from PubChem (CID 144656440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).