6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde

C13H19N3O — CID 80630963

IUPAC6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(N(C)C)C1
InChIInChI=1S/C13H19N3O/c1-10-6-11(9-17)7-14-13(10)16-5-4-12(8-16)15(2)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyOZBGACZPRSBZHK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.34
Rot. Bonds3

About 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde

6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde (PubChem CID 80630963) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
PubChem CID80630963
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(N(C)C)C1
InChIInChI=1S/C13H19N3O/c1-10-6-11(9-17)7-14-13(10)16-5-4-12(8-16)15(2)3/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyOZBGACZPRSBZHK-UHFFFAOYSA-N
XLogP1.34
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80637820
5-methyl-6-(4-methylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80637128
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
6-(4-tert-butylpiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80631324
6-(4-methoxypiperidin-1-yl)-5-methylpyridine-3-carbaldehyde
CID 80636958
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
6-[4-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80632225
6-[3-(methoxymethyl)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 106587511
N,N-dimethyl-1-[3-methyl-5-[(2-methylpropylamino)methyl]-2-pyridinyl]pyrrolidin-3-amine
CID 80638573
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
1-[5-[(cyclopropylamino)methyl]-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80637058
1-[5-(2-aminopropyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80634466

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde (CID 80630963) is 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N1CCC(N(C)C)C1.
What is the InChIKey of 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The InChIKey is OZBGACZPRSBZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-6-11(9-17)7-14-13(10)16-5-4-12(8-16)15(2)3/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde?
6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde has a molecular weight of 233.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80630963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).