N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide

C18H15F3N4O3 — CID 5329002

IUPACN-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(OC)cc(-c2cc3cnc(NC(=O)C(F)(F)F)cc3nc2N)c1
InChIInChI=1S/C18H15F3N4O3/c1-27-11-3-9(4-12(6-11)28-2)13-5-10-8-23-15(7-14(10)24-16(13)22)25-17(26)18(19,20)21/h3-8H,1-2H3,(H2,22,24)(H,23,25,26)
InChIKeyPUAOWHQXLKSRPD-UHFFFAOYSA-N
MW392.34 g/mol
LogP3.40
Rot. Bonds4

About N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide

N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide (PubChem CID 5329002) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide
PubChem CID5329002
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC NameN-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide
SMILESCOc1cc(OC)cc(-c2cc3cnc(NC(=O)C(F)(F)F)cc3nc2N)c1
InChIInChI=1S/C18H15F3N4O3/c1-27-11-3-9(4-12(6-11)28-2)13-5-10-8-23-15(7-14(10)24-16(13)22)25-17(26)18(19,20)21/h3-8H,1-2H3,(H2,22,24)(H,23,25,26)
InChIKeyPUAOWHQXLKSRPD-UHFFFAOYSA-N
XLogP3.40
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide (CID 5329002) is N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide is COc1cc(OC)cc(-c2cc3cnc(NC(=O)C(F)(F)F)cc3nc2N)c1.
What is the InChIKey of N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide?
The InChIKey is PUAOWHQXLKSRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-27-11-3-9(4-12(6-11)28-2)13-5-10-8-23-15(7-14(10)24-16(13)22)25-17(26)18(19,20)21/h3-8H,1-2H3,(H2,22,24)(H,23,25,26).
What are the key properties of N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide?
N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide has a molecular weight of 392.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 5329002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).