6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde

C13H18N2O2 — CID 102863594

IUPAC6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C13H18N2O2/c16-8-2-7-15(12-3-1-4-12)13-6-5-11(10-17)9-14-13/h5-6,9-10,12,16H,1-4,7-8H2
InChIKeyVTYJLJOROVWKGQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.64
Rot. Bonds6

About 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde

6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde (PubChem CID 102863594) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
PubChem CID102863594
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N(CCCO)C2CCC2)nc1
InChIInChI=1S/C13H18N2O2/c16-8-2-7-15(12-3-1-4-12)13-6-5-11(10-17)9-14-13/h5-6,9-10,12,16H,1-4,7-8H2
InChIKeyVTYJLJOROVWKGQ-UHFFFAOYSA-N
XLogP1.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[cyclobutyl-(5-methyl-2-pyridinyl)amino]propan-1-ol
CID 102846717
3-[cyclobutyl-[5-[(1S)-1-hydroxyethyl]-2-pyridinyl]amino]propan-1-ol
CID 102864183
3-[cyclobutyl-[5-(ethylaminomethyl)-2-pyridinyl]amino]propan-1-ol
CID 102864700
6-[3-hydroxypropyl(propan-2-yl)amino]pyridine-3-carbaldehyde
CID 80636803
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 54994646
3-[cyclobutyl(quinoxalin-2-yl)amino]propan-1-ol
CID 102846714
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
N-(3-chloropropyl)-N-cyclobutyl-5-methylpyridin-2-amine
CID 102871477
3-[cyclobutyl(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]propan-1-ol
CID 102868709
3-[(5-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859337
2-[cyclopropyl-(5-methyl-2-pyridinyl)amino]ethanol
CID 61146522
6-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carbaldehyde
CID 102632652

Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde (CID 102863594) is 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde is O=Cc1ccc(N(CCCO)C2CCC2)nc1.
What is the InChIKey of 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde?
The InChIKey is VTYJLJOROVWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-8-2-7-15(12-3-1-4-12)13-6-5-11(10-17)9-14-13/h5-6,9-10,12,16H,1-4,7-8H2.
What are the key properties of 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde?
6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(3-hydroxypropyl)amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 102863594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).