3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide

C16H16F3N3O2 — CID 119399129

IUPAC3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(N)c1ccccc1
InChIInChI=1S/C16H16F3N3O2/c1-9(13(20)10-5-3-2-4-6-10)14(23)22-12-7-11(16(17,18)19)8-21-15(12)24/h2-9,13H,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyATIQQYUMJJYVCU-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.67
Rot. Bonds4

About 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide (PubChem CID 119399129) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
PubChem CID119399129
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(N)c1ccccc1
InChIInChI=1S/C16H16F3N3O2/c1-9(13(20)10-5-3-2-4-6-10)14(23)22-12-7-11(16(17,18)19)8-21-15(12)24/h2-9,13H,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyATIQQYUMJJYVCU-UHFFFAOYSA-N
XLogP2.67
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide (CID 119399129) is 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide is CC(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide?
The InChIKey is ATIQQYUMJJYVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-9(13(20)10-5-3-2-4-6-10)14(23)22-12-7-11(16(17,18)19)8-21-15(12)24/h2-9,13H,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide has a molecular weight of 339.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 119399129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).