3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde

C17H19N3O — CID 145062803

IUPAC3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCc1ccc(-c2cc(C)nc(C3CCN(C=O)C3)c2)cn1
InChIInChI=1S/C17H19N3O/c1-12-3-4-14(9-18-12)16-7-13(2)19-17(8-16)15-5-6-20(10-15)11-21/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUEVRGNAXAXAOKE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.71
Rot. Bonds3

About 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde

3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde (PubChem CID 145062803) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
PubChem CID145062803
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde
SMILESCc1ccc(-c2cc(C)nc(C3CCN(C=O)C3)c2)cn1
InChIInChI=1S/C17H19N3O/c1-12-3-4-14(9-18-12)16-7-13(2)19-17(8-16)15-5-6-20(10-15)11-21/h3-4,7-9,11,15H,5-6,10H2,1-2H3
InChIKeyUEVRGNAXAXAOKE-UHFFFAOYSA-N
XLogP2.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.71
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 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde (CID 145062803) is 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde is Cc1ccc(-c2cc(C)nc(C3CCN(C=O)C3)c2)cn1.
What is the InChIKey of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
The InChIKey is UEVRGNAXAXAOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-4-14(9-18-12)16-7-13(2)19-17(8-16)15-5-6-20(10-15)11-21/h3-4,7-9,11,15H,5-6,10H2,1-2H3.
What are the key properties of 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde?
3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-4-(6-methyl-3-pyridinyl)-2-pyridinyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 145062803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).