2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide

C17H20N4O2 — CID 3039136

IUPAC2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide
SMILESCCC(C(=O)Nc1cccc(C)n1)C(=O)Nc1cccc(C)n1
InChIInChI=1S/C17H20N4O2/c1-4-13(16(22)20-14-9-5-7-11(2)18-14)17(23)21-15-10-6-8-12(3)19-15/h5-10,13H,4H2,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKeyAJDNFCVGCPWKFH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.70
Rot. Bonds5

About 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide

2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide (PubChem CID 3039136) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide.

Molecular Properties

Compound Name2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide
PubChem CID3039136
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide
SMILESCCC(C(=O)Nc1cccc(C)n1)C(=O)Nc1cccc(C)n1
InChIInChI=1S/C17H20N4O2/c1-4-13(16(22)20-14-9-5-7-11(2)18-14)17(23)21-15-10-6-8-12(3)19-15/h5-10,13H,4H2,1-3H3,(H,18,20,22)(H,19,21,23)
InChIKeyAJDNFCVGCPWKFH-UHFFFAOYSA-N
XLogP2.70
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide?
The IUPAC name of 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide (CID 3039136) is 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide.
What is the SMILES notation for 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide?
The canonical SMILES for 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide is CCC(C(=O)Nc1cccc(C)n1)C(=O)Nc1cccc(C)n1.
What is the InChIKey of 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide?
The InChIKey is AJDNFCVGCPWKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-13(16(22)20-14-9-5-7-11(2)18-14)17(23)21-15-10-6-8-12(3)19-15/h5-10,13H,4H2,1-3H3,(H,18,20,22)(H,19,21,23).
What are the key properties of 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide?
2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N'-bis(6-methyl-2-pyridinyl)propanediamide is sourced from PubChem (CID 3039136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).