1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide

C14H12F3N3O3 — CID 39074299

IUPAC1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide
SMILESCn1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1C(N)=O
InChIInChI=1S/C14H12F3N3O3/c1-19-6-8(5-10(19)12(18)22)11(21)7-20-4-2-3-9(13(20)23)14(15,16)17/h2-6H,7H2,1H3,(H2,18,22)
InChIKeyIYNHUTUIQXGKGY-UHFFFAOYSA-N
MW327.26 g/mol
LogP1.19
Rot. Bonds4

About 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide

1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide (PubChem CID 39074299) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide
PubChem CID39074299
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Name1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide
SMILESCn1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1C(N)=O
InChIInChI=1S/C14H12F3N3O3/c1-19-6-8(5-10(19)12(18)22)11(21)7-20-4-2-3-9(13(20)23)14(15,16)17/h2-6H,7H2,1H3,(H2,18,22)
InChIKeyIYNHUTUIQXGKGY-UHFFFAOYSA-N
XLogP1.19
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide 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 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide (CID 39074299) is 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide is Cn1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide?
The InChIKey is IYNHUTUIQXGKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-19-6-8(5-10(19)12(18)22)11(21)7-20-4-2-3-9(13(20)23)14(15,16)17/h2-6H,7H2,1H3,(H2,18,22).
What are the key properties of 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide?
1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]pyrrole-2-carboxamide is sourced from PubChem (CID 39074299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).