2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide

C17H19N3O2 — CID 108963689

IUPAC2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-17(2,16(22)20-14-6-4-3-5-7-14)15(21)19-12-13-8-10-18-11-9-13/h3-11H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLYPOUOIHOTXVIN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds5

About 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide

2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108963689) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound Name2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
PubChem CID108963689
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-17(2,16(22)20-14-6-4-3-5-7-14)15(21)19-12-13-8-10-18-11-9-13/h3-11H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLYPOUOIHOTXVIN-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(4-phenoxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963759
N-(3-bromophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963762
2,2-dimethyl-N-(pyridin-4-ylmethyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108963741
N-[4-(dimethylamino)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963751
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
2,2-dimethyl-N-(4-propan-2-yloxyphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963735
N-(2,6-difluorophenyl)-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963792
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-4-ylmethyl)propanediamide
CID 108961964
2,2-dimethyl-N-(4-piperidin-1-ylphenyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963754
N-[2,6-di(propan-2-yl)phenyl]-2,2-dimethyl-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963768
2,2-dimethyl-3-oxo-3-(4-phenylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 108963654
N'-(furan-2-ylmethyl)-2,2-dimethyl-N-phenylpropanediamide
CID 108961384

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide (CID 108963689) is 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide is CC(C)(C(=O)NCc1ccncc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is LYPOUOIHOTXVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,16(22)20-14-6-4-3-5-7-14)15(21)19-12-13-8-10-18-11-9-13/h3-11H,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide?
2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 297.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-phenyl-N'-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108963689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).