2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H10F3N3O2 — CID 106386003

IUPAC2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)9-2-1-8(11(20)18-9)10(19)17-6-7-3-4-16-5-7/h1-5,16H,6H2,(H,17,19)(H,18,20)
InChIKeyATGVCORFZJJGPJ-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.65
Rot. Bonds3

About 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 106386003) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID106386003
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)9-2-1-8(11(20)18-9)10(19)17-6-7-3-4-16-5-7/h1-5,16H,6H2,(H,17,19)(H,18,20)
InChIKeyATGVCORFZJJGPJ-UHFFFAOYSA-N
XLogP1.65
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 106386003) is 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCc1cc[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is ATGVCORFZJJGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)9-2-1-8(11(20)18-9)10(19)17-6-7-3-4-16-5-7/h1-5,16H,6H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106386003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).