N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide

C20H17FN4O4 — CID 11589321

IUPACN-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
SMILESNc1cc(Oc2ccc(NC(=O)NC(=O)Cc3cccc(O)c3)cc2F)ccn1
InChIInChI=1S/C20H17FN4O4/c21-16-10-13(4-5-17(16)29-15-6-7-23-18(22)11-15)24-20(28)25-19(27)9-12-2-1-3-14(26)8-12/h1-8,10-11,26H,9H2,(H2,22,23)(H2,24,25,27,28)
InChIKeyVYHHGEHFXOLMCB-UHFFFAOYSA-N
MW396.38 g/mol
LogP3.19
Rot. Bonds5

About N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide

N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 11589321) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
PubChem CID11589321
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC NameN-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide
SMILESNc1cc(Oc2ccc(NC(=O)NC(=O)Cc3cccc(O)c3)cc2F)ccn1
InChIInChI=1S/C20H17FN4O4/c21-16-10-13(4-5-17(16)29-15-6-7-23-18(22)11-15)24-20(28)25-19(27)9-12-2-1-3-14(26)8-12/h1-8,10-11,26H,9H2,(H2,22,23)(H2,24,25,27,28)
InChIKeyVYHHGEHFXOLMCB-UHFFFAOYSA-N
XLogP3.19
TPSA126.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide (CID 11589321) is N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide is Nc1cc(Oc2ccc(NC(=O)NC(=O)Cc3cccc(O)c3)cc2F)ccn1.
What is the InChIKey of N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is VYHHGEHFXOLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c21-16-10-13(4-5-17(16)29-15-6-7-23-18(22)11-15)24-20(28)25-19(27)9-12-2-1-3-14(26)8-12/h1-8,10-11,26H,9H2,(H2,22,23)(H2,24,25,27,28).
What are the key properties of N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide?
N-[[4-[(2-amino-4-pyridinyl)oxy]-3-fluorophenyl]carbamoyl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 396.38 g/mol, XLogP of 3.19, 5 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]carbamoyl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 11589321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).