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

C18H19FN4 — CID 155583949

IUPAC6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine
SMILESCc1cc(Nc2cc(F)c3nc(C(C)(C)C)ccc3n2)ccn1
InChIInChI=1S/C18H19FN4/c1-11-9-12(7-8-20-11)21-16-10-13(19)17-14(22-16)5-6-15(23-17)18(2,3)4/h5-10H,1-4H3,(H,20,21,22)
InChIKeyRWTCKKAEXFIRBK-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.51
Rot. Bonds2

About 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine

6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine (PubChem CID 155583949) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine
PubChem CID155583949
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine
SMILESCc1cc(Nc2cc(F)c3nc(C(C)(C)C)ccc3n2)ccn1
InChIInChI=1S/C18H19FN4/c1-11-9-12(7-8-20-11)21-16-10-13(19)17-14(22-16)5-6-15(23-17)18(2,3)4/h5-10H,1-4H3,(H,20,21,22)
InChIKeyRWTCKKAEXFIRBK-UHFFFAOYSA-N
XLogP4.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine?
The IUPAC name of 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine (CID 155583949) is 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine is Cc1cc(Nc2cc(F)c3nc(C(C)(C)C)ccc3n2)ccn1.
What is the InChIKey of 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine?
The InChIKey is RWTCKKAEXFIRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c1-11-9-12(7-8-20-11)21-16-10-13(19)17-14(22-16)5-6-15(23-17)18(2,3)4/h5-10H,1-4H3,(H,20,21,22).
What are the key properties of 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine?
6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine has a molecular weight of 310.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-fluoro-N-(2-methyl-4-pyridinyl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 155583949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).