N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C26H25F3N4O — CID 11225090

IUPACN-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCc1cc(Nc2ccc(C(C)(C)C)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C26H25F3N4O/c1-25(2,3)16-7-9-17(10-8-16)31-22-14-18(15-34-4)32-24-19(22)11-12-21(33-24)23-20(26(27,28)29)6-5-13-30-23/h5-14H,15H2,1-4H3,(H,31,32,33)
InChIKeyBSSMAXVAOJAYHM-UHFFFAOYSA-N
MW466.51 g/mol
LogP6.90
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 11225090) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID11225090
Molecular FormulaC26H25F3N4O
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC NameN-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCc1cc(Nc2ccc(C(C)(C)C)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1
InChIInChI=1S/C26H25F3N4O/c1-25(2,3)16-7-9-17(10-8-16)31-22-14-18(15-34-4)32-24-19(22)11-12-21(33-24)23-20(26(27,28)29)6-5-13-30-23/h5-14H,15H2,1-4H3,(H,31,32,33)
InChIKeyBSSMAXVAOJAYHM-UHFFFAOYSA-N
XLogP6.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 11225090) is N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is COCc1cc(Nc2ccc(C(C)(C)C)cc2)c2ccc(-c3ncccc3C(F)(F)F)nc2n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is BSSMAXVAOJAYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c1-25(2,3)16-7-9-17(10-8-16)31-22-14-18(15-34-4)32-24-19(22)11-12-21(33-24)23-20(26(27,28)29)6-5-13-30-23/h5-14H,15H2,1-4H3,(H,31,32,33).
What are the key properties of N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 466.51 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(methoxymethyl)-7-[3-(trifluoromethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 11225090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).