2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

C12H14F3N3O2 — CID 119399137

IUPAC2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(CNCC1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-3-9(11(20)17-5-8)18-10(19)6-16-4-7-1-2-7/h3,5,7,16H,1-2,4,6H2,(H,17,20)(H,18,19)
InChIKeyITHARDQHQHFYAX-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.33
Rot. Bonds5

About 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide

2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (PubChem CID 119399137) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
PubChem CID119399137
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
SMILESO=C(CNCC1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)8-3-9(11(20)17-5-8)18-10(19)6-16-4-7-1-2-7/h3,5,7,16H,1-2,4,6H2,(H,17,20)(H,18,19)
InChIKeyITHARDQHQHFYAX-UHFFFAOYSA-N
XLogP1.33
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide (CID 119399137) is 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is O=C(CNCC1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
The InChIKey is ITHARDQHQHFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)8-3-9(11(20)17-5-8)18-10(19)6-16-4-7-1-2-7/h3,5,7,16H,1-2,4,6H2,(H,17,20)(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide?
2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide has a molecular weight of 289.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide is sourced from PubChem (CID 119399137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).