6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde

C18H22N2O2 — CID 87405754

IUPAC6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde
SMILESCCCC[C@H](N)c1nc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-3-9-16(19)18-17(11-10-15(12-21)20-18)22-13-14-7-5-4-6-8-14/h4-8,10-12,16H,2-3,9,13,19H2,1H3/t16-/m0/s1
InChIKeyFQVRUYXCJPEHNI-INIZCTEOSA-N
MW298.39 g/mol
LogP3.66
Rot. Bonds8

About 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde

6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde (PubChem CID 87405754) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde
PubChem CID87405754
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde
SMILESCCCC[C@H](N)c1nc(C=O)ccc1OCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-2-3-9-16(19)18-17(11-10-15(12-21)20-18)22-13-14-7-5-4-6-8-14/h4-8,10-12,16H,2-3,9,13,19H2,1H3/t16-/m0/s1
InChIKeyFQVRUYXCJPEHNI-INIZCTEOSA-N
XLogP3.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The IUPAC name of 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde (CID 87405754) is 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde.
What is the SMILES notation for 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The canonical SMILES for 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde is CCCC[C@H](N)c1nc(C=O)ccc1OCc1ccccc1.
What is the InChIKey of 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde?
The InChIKey is FQVRUYXCJPEHNI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-9-16(19)18-17(11-10-15(12-21)20-18)22-13-14-7-5-4-6-8-14/h4-8,10-12,16H,2-3,9,13,19H2,1H3/t16-/m0/s1.
What are the key properties of 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde?
6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde has a molecular weight of 298.39 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminopentyl]-5-phenylmethoxypyridine-2-carbaldehyde is sourced from PubChem (CID 87405754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).