N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine

C17H17FN4 — CID 155583885

IUPACN-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine
SMILESCC(C)(C)c1cc(Nc2cc(F)c3ncccc3n2)ccn1
InChIInChI=1S/C17H17FN4/c1-17(2,3)14-9-11(6-8-19-14)21-15-10-12(18)16-13(22-15)5-4-7-20-16/h4-10H,1-3H3,(H,19,21,22)
InChIKeyUEZXXDXXIUEJLG-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.20
Rot. Bonds2

About N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine

N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine (PubChem CID 155583885) has the molecular formula C17H17FN4 and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine
PubChem CID155583885
Molecular FormulaC17H17FN4
Molecular Weight296.35 g/mol
Exact Mass296.14
IUPAC NameN-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine
SMILESCC(C)(C)c1cc(Nc2cc(F)c3ncccc3n2)ccn1
InChIInChI=1S/C17H17FN4/c1-17(2,3)14-9-11(6-8-19-14)21-15-10-12(18)16-13(22-15)5-4-7-20-16/h4-10H,1-3H3,(H,19,21,22)
InChIKeyUEZXXDXXIUEJLG-UHFFFAOYSA-N
XLogP4.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine 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-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine?
The IUPAC name of N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine (CID 155583885) is N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine.
What is the SMILES notation for N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine?
The canonical SMILES for N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine is CC(C)(C)c1cc(Nc2cc(F)c3ncccc3n2)ccn1.
What is the InChIKey of N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine?
The InChIKey is UEZXXDXXIUEJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4/c1-17(2,3)14-9-11(6-8-19-14)21-15-10-12(18)16-13(22-15)5-4-7-20-16/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine?
N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine has a molecular weight of 296.35 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-pyridinyl)-4-fluoro-1,5-naphthyridin-2-amine is sourced from PubChem (CID 155583885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).