N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C14H16F3N5O2 — CID 95563295

IUPACN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCn1ncnc1[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H16F3N5O2/c1-3-22-13(18-8-19-22)9(2)20-11(23)7-21-6-10(14(15,16)17)4-5-12(21)24/h4-6,8-9H,3,7H2,1-2H3,(H,20,23)/t9-/m1/s1
InChIKeyNUCCYWKEVJBVTD-SECBINFHSA-N
MW343.31 g/mol
LogP1.36
Rot. Bonds5

About N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 95563295) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID95563295
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC NameN-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCn1ncnc1[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C14H16F3N5O2/c1-3-22-13(18-8-19-22)9(2)20-11(23)7-21-6-10(14(15,16)17)4-5-12(21)24/h4-6,8-9H,3,7H2,1-2H3,(H,20,23)/t9-/m1/s1
InChIKeyNUCCYWKEVJBVTD-SECBINFHSA-N
XLogP1.36
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 95563295) is N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCn1ncnc1[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is NUCCYWKEVJBVTD-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-3-22-13(18-8-19-22)9(2)20-11(23)7-21-6-10(14(15,16)17)4-5-12(21)24/h4-6,8-9H,3,7H2,1-2H3,(H,20,23)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 95563295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).