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

C12H12F3N5O — CID 138026612

IUPAC6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCNc1nc(C)ccc1C(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H12F3N5O/c1-6-3-4-7(10(16-2)17-6)11(21)18-9-5-8(19-20-9)12(13,14)15/h3-5H,1-2H3,(H,16,17)(H2,18,19,20,21)
InChIKeyMIXLHXOUHJODGU-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.43
Rot. Bonds3

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

6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 138026612) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID138026612
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
SMILESCNc1nc(C)ccc1C(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H12F3N5O/c1-6-3-4-7(10(16-2)17-6)11(21)18-9-5-8(19-20-9)12(13,14)15/h3-5H,1-2H3,(H,16,17)(H2,18,19,20,21)
InChIKeyMIXLHXOUHJODGU-UHFFFAOYSA-N
XLogP2.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide (CID 138026612) is 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is CNc1nc(C)ccc1C(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is MIXLHXOUHJODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-6-3-4-7(10(16-2)17-6)11(21)18-9-5-8(19-20-9)12(13,14)15/h3-5H,1-2H3,(H,16,17)(H2,18,19,20,21).
What are the key properties of 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide?
6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 299.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylamino)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 138026612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).