6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide

C23H15F3N6O3 — CID 145059697

IUPAC6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide
SMILESC=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4nccc(C(F)(F)F)n4)cn3)c2c1
InChIInChI=1S/C23H15F3N6O3/c1-2-19(33)30-14-4-5-16-15(11-14)17(7-9-27-16)35-20-6-3-13(12-29-20)21(34)32-22-28-10-8-18(31-22)23(24,25)26/h2-12H,1H2,(H,30,33)(H,28,31,32,34)
InChIKeyQNDKVKVCEBWAOU-UHFFFAOYSA-N
MW480.41 g/mol
LogP4.61
Rot. Bonds6

About 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide

6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide (PubChem CID 145059697) has the molecular formula C23H15F3N6O3 and a molecular weight of 480.41 g/mol. Its IUPAC name is 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide
PubChem CID145059697
Molecular FormulaC23H15F3N6O3
Molecular Weight480.41 g/mol
Exact Mass480.12
IUPAC Name6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide
SMILESC=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4nccc(C(F)(F)F)n4)cn3)c2c1
InChIInChI=1S/C23H15F3N6O3/c1-2-19(33)30-14-4-5-16-15(11-14)17(7-9-27-16)35-20-6-3-13(12-29-20)21(34)32-22-28-10-8-18(31-22)23(24,25)26/h2-12H,1H2,(H,30,33)(H,28,31,32,34)
InChIKeyQNDKVKVCEBWAOU-UHFFFAOYSA-N
XLogP4.61
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-methyl-3-((3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yl)oxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108977
4-methyl-3-(3-(pyrimidin-4-yl)pyridin-2-yloxy)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16108986
4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273414
4-[6-(4-hydroxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273724
4-[6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280705
4-[6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059705
6-[[5-fluoro-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pyridine-3-carboxamide
CID 127040232
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)-6-phenoxynicotinamide
CID 44407966
N-(3-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-3-(trifluoromethyl)benzamide
CID 46929544
2-anilino-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 46929748
N-methyl-4-[2-[3-(trifluoromethyl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide
CID 57397846
N-(4-ethyl-2-pyridinyl)-4-[6-(prop-2-enoylamino)quinolin-4-yl]oxybenzamide
CID 121273408

Frequently Asked Questions

What is the IUPAC name of 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide (CID 145059697) is 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide is C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4nccc(C(F)(F)F)n4)cn3)c2c1.
What is the InChIKey of 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide?
The InChIKey is QNDKVKVCEBWAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O3/c1-2-19(33)30-14-4-5-16-15(11-14)17(7-9-27-16)35-20-6-3-13(12-29-20)21(34)32-22-28-10-8-18(31-22)23(24,25)26/h2-12H,1H2,(H,30,33)(H,28,31,32,34).
What are the key properties of 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide?
6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide has a molecular weight of 480.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(prop-2-enoylamino)quinolin-4-yl]oxy-N-[4-(trifluoromethyl)pyrimidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 145059697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).