6-(dipropylamino)-4-methylpyridine-3-carbaldehyde

C13H20N2O — CID 102545342

IUPAC6-(dipropylamino)-4-methylpyridine-3-carbaldehyde
SMILESCCCN(CCC)c1cc(C)c(C=O)cn1
InChIInChI=1S/C13H20N2O/c1-4-6-15(7-5-2)13-8-11(3)12(10-16)9-14-13/h8-10H,4-7H2,1-3H3
InChIKeyPPHFUAVKQXYKOH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.83
Rot. Bonds6

About 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde

6-(dipropylamino)-4-methylpyridine-3-carbaldehyde (PubChem CID 102545342) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(dipropylamino)-4-methylpyridine-3-carbaldehyde
PubChem CID102545342
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-(dipropylamino)-4-methylpyridine-3-carbaldehyde
SMILESCCCN(CCC)c1cc(C)c(C=O)cn1
InChIInChI=1S/C13H20N2O/c1-4-6-15(7-5-2)13-8-11(3)12(10-16)9-14-13/h8-10H,4-7H2,1-3H3
InChIKeyPPHFUAVKQXYKOH-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dipropylamino)-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde (CID 102545342) is 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde is CCCN(CCC)c1cc(C)c(C=O)cn1.
What is the InChIKey of 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde?
The InChIKey is PPHFUAVKQXYKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-6-15(7-5-2)13-8-11(3)12(10-16)9-14-13/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde?
6-(dipropylamino)-4-methylpyridine-3-carbaldehyde has a molecular weight of 220.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dipropylamino)-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 102545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).