3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde

C17H18N2O2 — CID 87405681

IUPAC3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde
SMILESNc1ccncc1-c1cc(C=O)ccc1OC1CCCC1
InChIInChI=1S/C17H18N2O2/c18-16-7-8-19-10-15(16)14-9-12(11-20)5-6-17(14)21-13-3-1-2-4-13/h5-11,13H,1-4H2,(H2,18,19)
InChIKeyFKQOKFZYADPWOU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde

3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde (PubChem CID 87405681) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde
PubChem CID87405681
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde
SMILESNc1ccncc1-c1cc(C=O)ccc1OC1CCCC1
InChIInChI=1S/C17H18N2O2/c18-16-7-8-19-10-15(16)14-9-12(11-20)5-6-17(14)21-13-3-1-2-4-13/h5-11,13H,1-4H2,(H2,18,19)
InChIKeyFKQOKFZYADPWOU-UHFFFAOYSA-N
XLogP3.46
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.46
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

5-cyclopentyloxyisoquinolin-8-amine
CID 43448847
5-cyclohexyloxyisoquinolin-8-amine
CID 43382765
6-cycloheptyloxyisoquinolin-5-amine
CID 106948663
4-cyclopentyloxy-3-prop-2-enoxybenzaldehyde
CID 143714272
3-(oxan-4-yloxy)pyridin-4-amine
CID 126982739
1-[(4-amino-3-pyridinyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)imidazolidin-2-one
CID 54286570
3-cyclopentyloxy-4-fluoropyridine
CID 130057810
6-cyclopentyloxy-[1]benzofuro[3,2-c]pyridine-9-carbaldehyde
CID 91463003
2-cyclohexyloxypyridine-4-carbaldehyde
CID 88984820
4-cyclopentyloxybenzaldehyde
CID 3152724
2-(3-cyclohexyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 67670844
4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine
CID 117370154

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde?
The IUPAC name of 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde (CID 87405681) is 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde is Nc1ccncc1-c1cc(C=O)ccc1OC1CCCC1.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde?
The InChIKey is FKQOKFZYADPWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-16-7-8-19-10-15(16)14-9-12(11-20)5-6-17(14)21-13-3-1-2-4-13/h5-11,13H,1-4H2,(H2,18,19).
What are the key properties of 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde?
3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)-4-cyclopentyloxybenzaldehyde is sourced from PubChem (CID 87405681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).