N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

C17H19FN2O2 — CID 58368167

IUPACN-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C17H19FN2O2/c1-17(2,3)20-16(21)13-7-8-15(19-10-13)22-11-12-5-4-6-14(18)9-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyZDPHRSGETFLJQS-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.33
Rot. Bonds4

About N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide

N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 58368167) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID58368167
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1
InChIInChI=1S/C17H19FN2O2/c1-17(2,3)20-16(21)13-7-8-15(19-10-13)22-11-12-5-4-6-14(18)9-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyZDPHRSGETFLJQS-UHFFFAOYSA-N
XLogP3.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 58368167) is N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(OCc2cccc(F)c2)nc1.
What is the InChIKey of N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is ZDPHRSGETFLJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-17(2,3)20-16(21)13-7-8-15(19-10-13)22-11-12-5-4-6-14(18)9-12/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 58368167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).