N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide

C18H20FN3O3 — CID 139347958

IUPACN-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(O)ccc2F)ccn1
InChIInChI=1S/C18H20FN3O3/c1-18(2,3)22-17(25)15-10-12(6-7-20-15)21-16(24)9-11-8-13(23)4-5-14(11)19/h4-8,10,23H,9H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyZLJONSLCQHLFOB-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.64
Rot. Bonds4

About N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide

N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (PubChem CID 139347958) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
PubChem CID139347958
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(O)ccc2F)ccn1
InChIInChI=1S/C18H20FN3O3/c1-18(2,3)22-17(25)15-10-12(6-7-20-15)21-16(24)9-11-8-13(23)4-5-14(11)19/h4-8,10,23H,9H2,1-3H3,(H,22,25)(H,20,21,24)
InChIKeyZLJONSLCQHLFOB-UHFFFAOYSA-N
XLogP2.64
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide (CID 139347958) is N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(NC(=O)Cc2cc(O)ccc2F)ccn1.
What is the InChIKey of N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
The InChIKey is ZLJONSLCQHLFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-18(2,3)22-17(25)15-10-12(6-7-20-15)21-16(24)9-11-8-13(23)4-5-14(11)19/h4-8,10,23H,9H2,1-3H3,(H,22,25)(H,20,21,24).
What are the key properties of N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-(2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139347958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).