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

C10H12F3N3O3 — CID 120986285

IUPAC2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESCOCC(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H12F3N3O3/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)
InChIKeyUFBPFHKUFBTLSU-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.31
Rot. Bonds4

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

2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (PubChem CID 120986285) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
PubChem CID120986285
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
SMILESCOCC(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C10H12F3N3O3/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)
InChIKeyUFBPFHKUFBTLSU-UHFFFAOYSA-N
XLogP0.31
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 8894327
(2S)-N-(3-methoxypropyl)-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]propanamide
CID 100753331
2-[3-Acetamido-2-oxo-5-(trifluoromethyl)-1-pyridinyl]butanamide
CID 141104540
(2R)-2-amino-N-[2-[[(2E,4E)-4,6-bis(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-3-methoxypropanamide
CID 144692966
N-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277695
N-[(2R)-1-methoxypropan-2-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277697
N-(1-methoxypropan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 16391670
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 47137186
4-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 47248894
4-ethoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]butanamide
CID 47248939
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 56814265
3-(2-methylpropoxy)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 56814266

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide (CID 120986285) is 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide is COCC(N)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
The InChIKey is UFBPFHKUFBTLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/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).
What are the key properties of 2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide?
2-amino-3-methoxy-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide has a molecular weight of 279.22 g/mol, XLogP of 0.31, 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 is sourced from PubChem (CID 120986285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).