2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide

C19H17FN4O2 — CID 135461021

IUPAC2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(N)=O)c(N)n3)c2)c(F)c1
InChIInChI=1S/C19H17FN4O2/c1-10-2-5-16(14(20)8-10)23-11-3-7-17(25)13(9-11)15-6-4-12(19(22)26)18(21)24-15/h2-9,23,25H,1H3,(H2,21,24)(H2,22,26)
InChIKeyHWRRBLMZHKRMCE-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.33
Rot. Bonds4

About 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide

2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 135461021) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID135461021
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(O)c(-c3ccc(C(N)=O)c(N)n3)c2)c(F)c1
InChIInChI=1S/C19H17FN4O2/c1-10-2-5-16(14(20)8-10)23-11-3-7-17(25)13(9-11)15-6-4-12(19(22)26)18(21)24-15/h2-9,23,25H,1H3,(H2,21,24)(H2,22,26)
InChIKeyHWRRBLMZHKRMCE-UHFFFAOYSA-N
XLogP3.33
TPSA114.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide (CID 135461021) is 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is Cc1ccc(Nc2ccc(O)c(-c3ccc(C(N)=O)c(N)n3)c2)c(F)c1.
What is the InChIKey of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is HWRRBLMZHKRMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-10-2-5-16(14(20)8-10)23-11-3-7-17(25)13(9-11)15-6-4-12(19(22)26)18(21)24-15/h2-9,23,25H,1H3,(H2,21,24)(H2,22,26).
What are the key properties of 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide?
2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2-fluoro-4-methylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 135461021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).