N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H13F3N4O2 — CID 31851197

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H13F3N4O2/c1-19(6-8-5-17-20(2)7-8)12(22)9-3-4-10(13(14,15)16)18-11(9)21/h3-5,7H,6H2,1-2H3,(H,18,21)
InChIKeyDENSQADLVQERFP-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.40
Rot. Bonds3

About N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 31851197) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID31851197
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H13F3N4O2/c1-19(6-8-5-17-20(2)7-8)12(22)9-3-4-10(13(14,15)16)18-11(9)21/h3-5,7H,6H2,1-2H3,(H,18,21)
InChIKeyDENSQADLVQERFP-UHFFFAOYSA-N
XLogP1.40
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47214951
3-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 71878621
6-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 72047283
6-methyl-2-oxo-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyridine-3-carboxamide
CID 72049343
6-methyl-2-oxo-N-(3-pyrazol-1-ylpropyl)-1H-pyridine-3-carboxamide
CID 72049372
6-methyl-1-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-4-(trifluoromethyl)pyridin-2(1H)-one
CID 72886307
1-methyl-2-oxo-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-1,2-dihydropyridine-3-carboxamide
CID 71808010
1-ethyl-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 77093642
6-ethyl-N,5-dimethyl-2-oxo-N-(2-pyrazol-1-ylethyl)-1H-pyridine-3-carboxamide
CID 138026106
6-oxo-N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]-1H-pyridine-2-carboxamide
CID 164626085
6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515833
1-[1-(Difluoromethyl)-2-oxopyridin-4-yl]pyrazole-4-carbaldehyde
CID 137351142

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 31851197) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DENSQADLVQERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-19(6-8-5-17-20(2)7-8)12(22)9-3-4-10(13(14,15)16)18-11(9)21/h3-5,7H,6H2,1-2H3,(H,18,21).
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 31851197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).