2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide

C17H20N4O2 — CID 108963334

IUPAC2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccccn1)C(=O)NCc1ccccn1
InChIInChI=1S/C17H20N4O2/c1-17(2,15(22)20-11-13-7-3-5-9-18-13)16(23)21-12-14-8-4-6-10-19-14/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQBBPXOCXISHANG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.44
Rot. Bonds6

About 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide

2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide (PubChem CID 108963334) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
PubChem CID108963334
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccccn1)C(=O)NCc1ccccn1
InChIInChI=1S/C17H20N4O2/c1-17(2,15(22)20-11-13-7-3-5-9-18-13)16(23)21-12-14-8-4-6-10-19-14/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQBBPXOCXISHANG-UHFFFAOYSA-N
XLogP1.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
2,2-dimethyl-N-(1-phenylethyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108962105
N-(4-ethylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963397
N-(3,5-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963474
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963400
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
2,2,2-trifluoro-N-(pyridin-2-ylmethyl)acetamide
CID 4159002
N-ethyl-2,2-dimethyl-N-phenyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963398
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963414
2,2-dimethyl-N-(pyridin-2-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108963447
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide (CID 108963334) is 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide is CC(C)(C(=O)NCc1ccccn1)C(=O)NCc1ccccn1.
What is the InChIKey of 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide?
The InChIKey is QBBPXOCXISHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-17(2,15(22)20-11-13-7-3-5-9-18-13)16(23)21-12-14-8-4-6-10-19-14/h3-10H,11-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide?
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide has a molecular weight of 312.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108963334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).