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

C23H16Cl2FN5O2 — CID 171481513

IUPAC2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(Nc3ncccc3C(=O)Nc3cccc(Cl)c3)cc2F)c1Cl
InChIInChI=1S/C23H16Cl2FN5O2/c24-13-3-1-4-14(11-13)31-23(32)16-5-2-9-29-22(16)30-15-6-7-18(17(26)12-15)33-19-8-10-28-21(27)20(19)25/h1-12H,(H2,27,28)(H,29,30)(H,31,32)
InChIKeyJSDFYBUDWUGAIK-UHFFFAOYSA-N
MW484.32 g/mol
LogP6.29
Rot. Bonds6

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

2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide (PubChem CID 171481513) has the molecular formula C23H16Cl2FN5O2 and a molecular weight of 484.32 g/mol. Its IUPAC name is 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide
PubChem CID171481513
Molecular FormulaC23H16Cl2FN5O2
Molecular Weight484.32 g/mol
Exact Mass483.07
IUPAC Name2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide
SMILESNc1nccc(Oc2ccc(Nc3ncccc3C(=O)Nc3cccc(Cl)c3)cc2F)c1Cl
InChIInChI=1S/C23H16Cl2FN5O2/c24-13-3-1-4-14(11-13)31-23(32)16-5-2-9-29-22(16)30-15-6-7-18(17(26)12-15)33-19-8-10-28-21(27)20(19)25/h1-12H,(H2,27,28)(H,29,30)(H,31,32)
InChIKeyJSDFYBUDWUGAIK-UHFFFAOYSA-N
XLogP6.29
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.32
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide (CID 171481513) is 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide is Nc1nccc(Oc2ccc(Nc3ncccc3C(=O)Nc3cccc(Cl)c3)cc2F)c1Cl.
What is the InChIKey of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
The InChIKey is JSDFYBUDWUGAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2FN5O2/c24-13-3-1-4-14(11-13)31-23(32)16-5-2-9-29-22(16)30-15-6-7-18(17(26)12-15)33-19-8-10-28-21(27)20(19)25/h1-12H,(H2,27,28)(H,29,30)(H,31,32).
What are the key properties of 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide?
2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide has a molecular weight of 484.32 g/mol, XLogP of 6.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(3-chlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 171481513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).