N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide

C16H19N3O — CID 108999660

IUPACN-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccncc2)cc1C
InChIInChI=1S/C16H19N3O/c1-12-3-4-15(9-13(12)2)19-16(20)11-18-10-14-5-7-17-8-6-14/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyDBRSSESFBZVALP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.43
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide

N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 108999660) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID108999660
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide
SMILESCc1ccc(NC(=O)CNCc2ccncc2)cc1C
InChIInChI=1S/C16H19N3O/c1-12-3-4-15(9-13(12)2)19-16(20)11-18-10-14-5-7-17-8-6-14/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChIKeyDBRSSESFBZVALP-UHFFFAOYSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
N-(3,4-difluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 47107068
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024054
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
methyl 4-[[2-(pyridin-4-ylmethylamino)acetyl]amino]benzoate;oxalic acid
CID 15944793
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999704
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466525
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021226
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide (CID 108999660) is N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide is Cc1ccc(NC(=O)CNCc2ccncc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is DBRSSESFBZVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-3-4-15(9-13(12)2)19-16(20)11-18-10-14-5-7-17-8-6-14/h3-9,18H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide?
N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 269.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 108999660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).