2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride

C10H13ClF3N3O3 — CID 120986284

IUPAC2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.Cl
InChIInChI=1S/C10H12F3N3O3.ClH/c1-19-4-6(14)8(17)16-7-2-5(10(11,12)13)3-15-9(7)18;/h2-3,6H,4,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyNWZMUUVHZRRSPS-UHFFFAOYSA-N
MW315.68 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride

2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride (PubChem CID 120986284) has the molecular formula C10H13ClF3N3O3 and a molecular weight of 315.68 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
PubChem CID120986284
Molecular FormulaC10H13ClF3N3O3
Molecular Weight315.68 g/mol
Exact Mass315.06
IUPAC Name2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.Cl
InChIInChI=1S/C10H12F3N3O3.ClH/c1-19-4-6(14)8(17)16-7-2-5(10(11,12)13)3-15-9(7)18;/h2-3,6H,4,14H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyNWZMUUVHZRRSPS-UHFFFAOYSA-N
XLogP0.73
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride (CID 120986284) is 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride is COCC(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride?
The InChIKey is NWZMUUVHZRRSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3.ClH/c1-19-4-6(14)8(17)16-7-2-5(10(11,12)13)3-15-9(7)18;/h2-3,6H,4,14H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride has a molecular weight of 315.68 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 120986284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).