3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal

C10H14N2O — CID 145188479

IUPAC3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal
SMILESCNc1ccnc(C)c1CCC=O
InChIInChI=1S/C10H14N2O/c1-8-9(4-3-7-13)10(11-2)5-6-12-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyDEPCZEPYAPWZFA-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.56
Rot. Bonds4

About 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal

3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal (PubChem CID 145188479) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal
PubChem CID145188479
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal
SMILESCNc1ccnc(C)c1CCC=O
InChIInChI=1S/C10H14N2O/c1-8-9(4-3-7-13)10(11-2)5-6-12-8/h5-7H,3-4H2,1-2H3,(H,11,12)
InChIKeyDEPCZEPYAPWZFA-UHFFFAOYSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
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 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal?
The IUPAC name of 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal (CID 145188479) is 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal.
What is the SMILES notation for 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal?
The canonical SMILES for 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal is CNc1ccnc(C)c1CCC=O.
What is the InChIKey of 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal?
The InChIKey is DEPCZEPYAPWZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-9(4-3-7-13)10(11-2)5-6-12-8/h5-7H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal?
3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal has a molecular weight of 178.23 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(methylamino)-3-pyridinyl]propanal is sourced from PubChem (CID 145188479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).