N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H12ClF3N4O3 — CID 110208900

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C14H12ClF3N4O3/c1-7-5-22(13(25)21-12(7)24)6-11(23)20-4-10-9(15)2-8(3-19-10)14(16,17)18/h2-3,5H,4,6H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyOCWBZNZCKCDABA-UHFFFAOYSA-N
MW376.72 g/mol
LogP1.23
Rot. Bonds4

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 110208900) has the molecular formula C14H12ClF3N4O3 and a molecular weight of 376.72 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID110208900
Molecular FormulaC14H12ClF3N4O3
Molecular Weight376.72 g/mol
Exact Mass376.06
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C14H12ClF3N4O3/c1-7-5-22(13(25)21-12(7)24)6-11(23)20-4-10-9(15)2-8(3-19-10)14(16,17)18/h2-3,5H,4,6H2,1H3,(H,20,23)(H,21,24,25)
InChIKeyOCWBZNZCKCDABA-UHFFFAOYSA-N
XLogP1.23
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 110208900) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NCc2ncc(C(F)(F)F)cc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is OCWBZNZCKCDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O3/c1-7-5-22(13(25)21-12(7)24)6-11(23)20-4-10-9(15)2-8(3-19-10)14(16,17)18/h2-3,5H,4,6H2,1H3,(H,20,23)(H,21,24,25).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 376.72 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 110208900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).