5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide

C19H14Cl2F2N6O5 — CID 163293522

IUPAC5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNc1nn(-c2cc(Cl)c(Oc3c[nH]c(=O)c(C(=O)NC4CC(F)(F)C4)c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H14Cl2F2N6O5/c20-11-1-8(29-18(33)27-17(32)14(24)28-29)2-12(21)13(11)34-9-3-10(15(30)25-6-9)16(31)26-7-4-19(22,23)5-7/h1-3,6-7H,4-5H2,(H2,24,28)(H,25,30)(H,26,31)(H,27,32,33)
InChIKeyCFTWWDXHNBMYRX-UHFFFAOYSA-N
MW515.26 g/mol
LogP1.82
Rot. Bonds5

About 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide

5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 163293522) has the molecular formula C19H14Cl2F2N6O5 and a molecular weight of 515.26 g/mol. Its IUPAC name is 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID163293522
Molecular FormulaC19H14Cl2F2N6O5
Molecular Weight515.26 g/mol
Exact Mass514.04
IUPAC Name5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNc1nn(-c2cc(Cl)c(Oc3c[nH]c(=O)c(C(=O)NC4CC(F)(F)C4)c3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H14Cl2F2N6O5/c20-11-1-8(29-18(33)27-17(32)14(24)28-29)2-12(21)13(11)34-9-3-10(15(30)25-6-9)16(31)26-7-4-19(22,23)5-7/h1-3,6-7H,4-5H2,(H2,24,28)(H,25,30)(H,26,31)(H,27,32,33)
InChIKeyCFTWWDXHNBMYRX-UHFFFAOYSA-N
XLogP1.82
TPSA164.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.26
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide (CID 163293522) is 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide is Nc1nn(-c2cc(Cl)c(Oc3c[nH]c(=O)c(C(=O)NC4CC(F)(F)C4)c3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CFTWWDXHNBMYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N6O5/c20-11-1-8(29-18(33)27-17(32)14(24)28-29)2-12(21)13(11)34-9-3-10(15(30)25-6-9)16(31)26-7-4-19(22,23)5-7/h1-3,6-7H,4-5H2,(H2,24,28)(H,25,30)(H,26,31)(H,27,32,33).
What are the key properties of 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide?
5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 515.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-N-(3,3-difluorocyclobutyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 163293522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).