2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide

C13H19N3O2 — CID 113163745

IUPAC2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)Cc1ccncc1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-13(18)9-16(11(3)17)8-12-4-6-14-7-5-12/h4-7,10H,8-9H2,1-3H3,(H,15,18)
InChIKeyZNGKPHZKLYJDHI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.95
Rot. Bonds5

About 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide

2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide (PubChem CID 113163745) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
PubChem CID113163745
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide
SMILESCC(=O)N(CC(=O)NC(C)C)Cc1ccncc1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-13(18)9-16(11(3)17)8-12-4-6-14-7-5-12/h4-7,10H,8-9H2,1-3H3,(H,15,18)
InChIKeyZNGKPHZKLYJDHI-UHFFFAOYSA-N
XLogP0.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113162680
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 113161549
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113163941
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
CID 108940811
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 113163882
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113163762
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113120639
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
3-[acetyl(pyridin-4-ylmethyl)amino]-N-cyclopropylpropanamide
CID 113120535
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide (CID 113163745) is 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide is CC(=O)N(CC(=O)NC(C)C)Cc1ccncc1.
What is the InChIKey of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is ZNGKPHZKLYJDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)15-13(18)9-16(11(3)17)8-12-4-6-14-7-5-12/h4-7,10H,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide?
2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-4-ylmethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113163745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).