6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide

C12H9F3N4O2 — CID 138036943

IUPAC6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)8-4-16-9(17-5-8)6-19-11(21)7-1-2-10(20)18-3-7/h1-5H,6H2,(H,18,20)(H,19,21)
InChIKeyHISMBNJCABACJE-UHFFFAOYSA-N
MW298.22 g/mol
LogP1.11
Rot. Bonds3

About 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 138036943) has the molecular formula C12H9F3N4O2 and a molecular weight of 298.22 g/mol. Its IUPAC name is 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID138036943
Molecular FormulaC12H9F3N4O2
Molecular Weight298.22 g/mol
Exact Mass298.07
IUPAC Name6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cn1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)8-4-16-9(17-5-8)6-19-11(21)7-1-2-10(20)18-3-7/h1-5H,6H2,(H,18,20)(H,19,21)
InChIKeyHISMBNJCABACJE-UHFFFAOYSA-N
XLogP1.11
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 17483735
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 91632818
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040983
6-oxo-N-[(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 71144853

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 138036943) is 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCc1ncc(C(F)(F)F)cn1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is HISMBNJCABACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2/c13-12(14,15)8-4-16-9(17-5-8)6-19-11(21)7-1-2-10(20)18-3-7/h1-5H,6H2,(H,18,20)(H,19,21).
What are the key properties of 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 298.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).