N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C14H16F3N5O — CID 129417786

IUPACN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H16F3N5O/c1-9(2)11(8-22-19-5-6-20-22)21-13(23)10-3-4-12(18-7-10)14(15,16)17/h3-7,9,11H,8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeySGRQKFBDQQOTKI-LLVKDONJSA-N
MW327.31 g/mol
LogP2.15
Rot. Bonds5

About N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 129417786) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID129417786
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H16F3N5O/c1-9(2)11(8-22-19-5-6-20-22)21-13(23)10-3-4-12(18-7-10)14(15,16)17/h3-7,9,11H,8H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeySGRQKFBDQQOTKI-LLVKDONJSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176647
4-(4-fluorophenyl)-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176696
N-[(2R)-1-aminopropan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 104872787
N-[(2S,3S)-3-methylpentan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 94663314
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
N-[3-methyl-1-(1,2,4-triazol-1-yl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 122162145
N-(1-hydroxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43424634
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 129417514

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 129417786) is N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is SGRQKFBDQQOTKI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-9(2)11(8-22-19-5-6-20-22)21-13(23)10-3-4-12(18-7-10)14(15,16)17/h3-7,9,11H,8H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 129417786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).