N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide

C19H16F4N4O3 — CID 163204508

IUPACN-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
SMILESCC(C)n1nc(CC(=O)Nc2cc(F)[nH]c(=O)c2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H16F4N4O3/c1-9(2)27-14-5-10(19(21,22)23)3-4-12(14)18(30)13(26-27)8-17(29)24-11-6-15(20)25-16(28)7-11/h3-7,9H,8H2,1-2H3,(H2,24,25,28,29)
InChIKeyFJQWJTHURAGPJC-UHFFFAOYSA-N
MW424.35 g/mol
LogP3.00
Rot. Bonds4

About N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide

N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide (PubChem CID 163204508) has the molecular formula C19H16F4N4O3 and a molecular weight of 424.35 g/mol. Its IUPAC name is N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
PubChem CID163204508
Molecular FormulaC19H16F4N4O3
Molecular Weight424.35 g/mol
Exact Mass424.12
IUPAC NameN-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide
SMILESCC(C)n1nc(CC(=O)Nc2cc(F)[nH]c(=O)c2)c(=O)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H16F4N4O3/c1-9(2)27-14-5-10(19(21,22)23)3-4-12(14)18(30)13(26-27)8-17(29)24-11-6-15(20)25-16(28)7-11/h3-7,9H,8H2,1-2H3,(H2,24,25,28,29)
InChIKeyFJQWJTHURAGPJC-UHFFFAOYSA-N
XLogP3.00
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The IUPAC name of N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide (CID 163204508) is N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The canonical SMILES for N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide is CC(C)n1nc(CC(=O)Nc2cc(F)[nH]c(=O)c2)c(=O)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
The InChIKey is FJQWJTHURAGPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O3/c1-9(2)27-14-5-10(19(21,22)23)3-4-12(14)18(30)13(26-27)8-17(29)24-11-6-15(20)25-16(28)7-11/h3-7,9H,8H2,1-2H3,(H2,24,25,28,29).
What are the key properties of N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide?
N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide has a molecular weight of 424.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-oxo-1H-pyridin-4-yl)-2-[4-oxo-1-propan-2-yl-7-(trifluoromethyl)cinnolin-3-yl]acetamide is sourced from PubChem (CID 163204508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).