3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C13H12ClF3N4O2 — CID 167759690

IUPAC3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ncon1
InChIInChI=1S/C13H12ClF3N4O2/c1-6(2)9(11-19-5-23-21-11)20-12(22)10-8(14)3-7(4-18-10)13(15,16)17/h3-6,9H,1-2H3,(H,20,22)
InChIKeyRYPYQIBIHSKBTM-UHFFFAOYSA-N
MW348.71 g/mol
LogP3.26
Rot. Bonds4

About 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167759690) has the molecular formula C13H12ClF3N4O2 and a molecular weight of 348.71 g/mol. Its IUPAC name is 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167759690
Molecular FormulaC13H12ClF3N4O2
Molecular Weight348.71 g/mol
Exact Mass348.06
IUPAC Name3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)C(NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ncon1
InChIInChI=1S/C13H12ClF3N4O2/c1-6(2)9(11-19-5-23-21-11)20-12(22)10-8(14)3-7(4-18-10)13(15,16)17/h3-6,9H,1-2H3,(H,20,22)
InChIKeyRYPYQIBIHSKBTM-UHFFFAOYSA-N
XLogP3.26
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 2779745
3-methyl-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]triazolo[4,5-b]pyridine-6-carboxamide
CID 102563782
3-chloro-N-[4-chloro-2-methyl-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174991613
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
3-chloro-N-[2-methyl-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174993762
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 167759690) is 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CC(C)C(NC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ncon1.
What is the InChIKey of 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RYPYQIBIHSKBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2/c1-6(2)9(11-19-5-23-21-11)20-12(22)10-8(14)3-7(4-18-10)13(15,16)17/h3-6,9H,1-2H3,(H,20,22).
What are the key properties of 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 348.71 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-methyl-1-(1,2,4-oxadiazol-3-yl)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167759690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).