N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C19H13ClF4N4O5 — CID 46851690

IUPACN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNc1cc(Oc2ccc(NC(=O)c3cc(Cl)c[nH]c3=O)cc2F)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H12ClFN4O3.C2HF3O2/c18-9-5-12(16(24)22-8-9)17(25)23-10-1-2-14(13(19)6-10)26-11-3-4-21-15(20)7-11;3-2(4,5)1(6)7/h1-8H,(H2,20,21)(H,22,24)(H,23,25);(H,6,7)
InChIKeyXQTWSVPHUZZLBI-UHFFFAOYSA-N
MW488.78 g/mol
LogP3.82
Rot. Bonds4

About N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 46851690) has the molecular formula C19H13ClF4N4O5 and a molecular weight of 488.78 g/mol. Its IUPAC name is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID46851690
Molecular FormulaC19H13ClF4N4O5
Molecular Weight488.78 g/mol
Exact Mass488.05
IUPAC NameN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESNc1cc(Oc2ccc(NC(=O)c3cc(Cl)c[nH]c3=O)cc2F)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H12ClFN4O3.C2HF3O2/c18-9-5-12(16(24)22-8-9)17(25)23-10-1-2-14(13(19)6-10)26-11-3-4-21-15(20)7-11;3-2(4,5)1(6)7/h1-8H,(H2,20,21)(H,22,24)(H,23,25);(H,6,7)
InChIKeyXQTWSVPHUZZLBI-UHFFFAOYSA-N
XLogP3.82
TPSA147.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.78
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 46851683
N-[4-[(5-chloro-2-pyridinyl)oxy]-3-fluorophenyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 73058453
2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481437
5-chloro-2-oxo-N-(4-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110860456
1-[4-[(2-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-[6-(trifluoromethyl)pyrimidin-4-yl]urea
CID 23634342
N'-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]propanediamide
CID 59853083
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide;bis(N-[4-[[2-(carbamoylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide);phenyl carbonochloridate;phenyl N-[4-[4-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carbonyl]amino]-2-fluorophenoxy]-2-pyridinyl]carbamate
CID 163868885
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-7-(dimethylamino)-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 71488776
5-[4-[4-[[5-(aminomethyl)-2-fluorophenyl]carbamoylamino]-2-fluorophenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 174668410

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 46851690) is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Nc1cc(Oc2ccc(NC(=O)c3cc(Cl)c[nH]c3=O)cc2F)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XQTWSVPHUZZLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O3.C2HF3O2/c18-9-5-12(16(24)22-8-9)17(25)23-10-1-2-14(13(19)6-10)26-11-3-4-21-15(20)7-11;3-2(4,5)1(6)7/h1-8H,(H2,20,21)(H,22,24)(H,23,25);(H,6,7).
What are the key properties of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 488.78 g/mol, XLogP of 3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46851690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).