2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde

C14H19N3O — CID 142584201

IUPAC2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde
SMILESCN1CCC2(CC1)CN(c1cc(C=O)ccn1)C2
InChIInChI=1S/C14H19N3O/c1-16-6-3-14(4-7-16)10-17(11-14)13-8-12(9-18)2-5-15-13/h2,5,8-9H,3-4,6-7,10-11H2,1H3
InChIKeyPMIJFNBRLFLFKC-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.43
Rot. Bonds2

About 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde

2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde (PubChem CID 142584201) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde
PubChem CID142584201
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde
SMILESCN1CCC2(CC1)CN(c1cc(C=O)ccn1)C2
InChIInChI=1S/C14H19N3O/c1-16-6-3-14(4-7-16)10-17(11-14)13-8-12(9-18)2-5-15-13/h2,5,8-9H,3-4,6-7,10-11H2,1H3
InChIKeyPMIJFNBRLFLFKC-UHFFFAOYSA-N
XLogP1.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
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 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde?
The IUPAC name of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde (CID 142584201) is 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde is CN1CCC2(CC1)CN(c1cc(C=O)ccn1)C2.
What is the InChIKey of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde?
The InChIKey is PMIJFNBRLFLFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-6-3-14(4-7-16)10-17(11-14)13-8-12(9-18)2-5-15-13/h2,5,8-9H,3-4,6-7,10-11H2,1H3.
What are the key properties of 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde?
2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde has a molecular weight of 245.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 142584201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).