3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

C17H19N3O2 — CID 24819620

IUPAC3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13(21)20-16(15-5-3-2-4-6-15)11-17(22)19-12-14-7-9-18-10-8-14/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyKOKXLLMVXJIDOW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.97
Rot. Bonds6

About 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide

3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 24819620) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID24819620
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccncc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-13(21)20-16(15-5-3-2-4-6-15)11-17(22)19-12-14-7-9-18-10-8-14/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyKOKXLLMVXJIDOW-UHFFFAOYSA-N
XLogP1.97
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide (CID 24819620) is 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is CC(=O)NC(CC(=O)NCc1ccncc1)c1ccccc1.
What is the InChIKey of 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is KOKXLLMVXJIDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13(21)20-16(15-5-3-2-4-6-15)11-17(22)19-12-14-7-9-18-10-8-14/h2-10,16H,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide?
3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-phenyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 24819620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).