N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide

C23H17F2N5O2 — CID 46851683

IUPACN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
SMILESNc1cc(Oc2ccc(NC(=O)c3ccnc(Nc4ccc(F)cc4)c3)cc2F)ccn1
InChIInChI=1S/C23H17F2N5O2/c24-15-1-3-16(4-2-15)29-22-11-14(7-9-28-22)23(31)30-17-5-6-20(19(25)12-17)32-18-8-10-27-21(26)13-18/h1-13H,(H2,26,27)(H,28,29)(H,30,31)
InChIKeyOYZROLXLNPIPFJ-UHFFFAOYSA-N
MW433.42 g/mol
LogP5.13
Rot. Bonds6

About N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide

N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide (PubChem CID 46851683) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
PubChem CID46851683
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC NameN-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide
SMILESNc1cc(Oc2ccc(NC(=O)c3ccnc(Nc4ccc(F)cc4)c3)cc2F)ccn1
InChIInChI=1S/C23H17F2N5O2/c24-15-1-3-16(4-2-15)29-22-11-14(7-9-28-22)23(31)30-17-5-6-20(19(25)12-17)32-18-8-10-27-21(26)13-18/h1-13H,(H2,26,27)(H,28,29)(H,30,31)
InChIKeyOYZROLXLNPIPFJ-UHFFFAOYSA-N
XLogP5.13
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.42
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-fluoroanilino)pyridine-4-carboxamide
CID 109177330
N-(3,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178406
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-5-chloro-2-oxo-1H-pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 46851690
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
2-[4-[(2-amino-4-pyridinyl)oxy]-3-chloroanilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 171481437
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
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
CID 11589321
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
N'-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]propanediamide
CID 59853083
methyl 2-[[2-(4-fluoroanilino)pyridine-4-carbonyl]amino]benzoate
CID 109177338
N-(3-fluorophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109178460
4-[[4-[[2-(4-fluorophenyl)-6-methyl-3-pyridinyl]oxy]-2-pyridinyl]amino]benzamide
CID 68852389

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
The IUPAC name of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide (CID 46851683) is N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide is Nc1cc(Oc2ccc(NC(=O)c3ccnc(Nc4ccc(F)cc4)c3)cc2F)ccn1.
What is the InChIKey of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
The InChIKey is OYZROLXLNPIPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c24-15-1-3-16(4-2-15)29-22-11-14(7-9-28-22)23(31)30-17-5-6-20(19(25)12-17)32-18-8-10-27-21(26)13-18/h1-13H,(H2,26,27)(H,28,29)(H,30,31).
What are the key properties of N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide?
N-[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluoroanilino)pyridine-4-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 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]-2-(4-fluoroanilino)pyridine-4-carboxamide is sourced from PubChem (CID 46851683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).