5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide

C13H10F3N3O3 — CID 125433952

IUPAC5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1=O
InChIInChI=1S/C13H10F3N3O3/c1-22-10-6-17-8(4-9(10)20)12(21)19-7-2-3-11(18-5-7)13(14,15)16/h2-6H,1H3,(H,17,20)(H,19,21)
InChIKeyBEEKEDPEBSXAEU-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.05
Rot. Bonds3

About 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide

5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide (PubChem CID 125433952) has the molecular formula C13H10F3N3O3 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide
PubChem CID125433952
Molecular FormulaC13H10F3N3O3
Molecular Weight313.24 g/mol
Exact Mass313.07
IUPAC Name5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1=O
InChIInChI=1S/C13H10F3N3O3/c1-22-10-6-17-8(4-9(10)20)12(21)19-7-2-3-11(18-5-7)13(14,15)16/h2-6H,1H3,(H,17,20)(H,19,21)
InChIKeyBEEKEDPEBSXAEU-UHFFFAOYSA-N
XLogP2.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376477
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
5-[(4-chlorophenyl)methoxy]-N-(6-methoxy-3-pyridinyl)-4-oxo-1H-pyridine-2-carboxamide
CID 52898437
5-methoxy-4-oxo-N-(4-oxochromen-6-yl)-1H-pyridine-2-carboxamide
CID 127252932
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
4-fluoro-3-sulfanyl-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 107033712
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
4-bromo-N-(4-bromo-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 79421457

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide (CID 125433952) is 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)Nc2ccc(C(F)(F)F)nc2)cc1=O.
What is the InChIKey of 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide?
The InChIKey is BEEKEDPEBSXAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O3/c1-22-10-6-17-8(4-9(10)20)12(21)19-7-2-3-11(18-5-7)13(14,15)16/h2-6H,1H3,(H,17,20)(H,19,21).
What are the key properties of 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide?
5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-oxo-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyridine-2-carboxamide is sourced from PubChem (CID 125433952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).