3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde

C22H26N2O2 — CID 144656444

IUPAC3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1NCC1CCCc2cc(OCCC3CC3)ccc21
InChIInChI=1S/C22H26N2O2/c25-15-19-8-10-23-14-22(19)24-13-18-3-1-2-17-12-20(6-7-21(17)18)26-11-9-16-4-5-16/h6-8,10,12,14-16,18,24H,1-5,9,11,13H2
InChIKeyIBKORBUQGYLBRB-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.61
Rot. Bonds8

About 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde

3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde (PubChem CID 144656444) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde
PubChem CID144656444
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1NCC1CCCc2cc(OCCC3CC3)ccc21
InChIInChI=1S/C22H26N2O2/c25-15-19-8-10-23-14-22(19)24-13-18-3-1-2-17-12-20(6-7-21(17)18)26-11-9-16-4-5-16/h6-8,10,12,14-16,18,24H,1-5,9,11,13H2
InChIKeyIBKORBUQGYLBRB-UHFFFAOYSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.61
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-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 118597670
[3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-4-pyridinyl]methanediol
CID 155313925
methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 162211482
ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 144656426
3-[(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77104943
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77107324
3-[(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 90253472
methyl 3-[[(1S)-6-(2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118598098
3-[[7-(5-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carbaldehyde
CID 144656411
3-[[(4S)-7-cyclopropyl-3,4-dihydro-2H-chromen-4-yl]methylamino]pyridine-4-carbaldehyde;ethane;methanol
CID 144656504
methyl 3-[[(1R)-6-(2-chlorophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylate
CID 118597825
3-[[(1R)-6-(3-methoxyanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 155315093

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde?
The IUPAC name of 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde (CID 144656444) is 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde?
The canonical SMILES for 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde is O=Cc1ccncc1NCC1CCCc2cc(OCCC3CC3)ccc21.
What is the InChIKey of 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde?
The InChIKey is IBKORBUQGYLBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-15-19-8-10-23-14-22(19)24-13-18-3-1-2-17-12-20(6-7-21(17)18)26-11-9-16-4-5-16/h6-8,10,12,14-16,18,24H,1-5,9,11,13H2.
What are the key properties of 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde?
3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde has a molecular weight of 350.46 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carbaldehyde is sourced from PubChem (CID 144656444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).