N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine

C26H33N7O2 — CID 146591720

IUPACN-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine
SMILESCCOc1cc(-c2nncn2C)ccc1NN1C=Cc2cc(C)nc(N3CC(CC)(OC)C3)c2C1
InChIInChI=1S/C26H33N7O2/c1-6-26(34-5)15-32(16-26)25-21-14-33(11-10-19(21)12-18(3)28-25)30-22-9-8-20(13-23(22)35-7-2)24-29-27-17-31(24)4/h8-13,17,30H,6-7,14-16H2,1-5H3
InChIKeyHETAYBXVIFPXSO-UHFFFAOYSA-N
MW475.60 g/mol
LogP4.01
Rot. Bonds8

About N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine

N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine (PubChem CID 146591720) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine.

Molecular Properties

Compound NameN-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine
PubChem CID146591720
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine
SMILESCCOc1cc(-c2nncn2C)ccc1NN1C=Cc2cc(C)nc(N3CC(CC)(OC)C3)c2C1
InChIInChI=1S/C26H33N7O2/c1-6-26(34-5)15-32(16-26)25-21-14-33(11-10-19(21)12-18(3)28-25)30-22-9-8-20(13-23(22)35-7-2)24-29-27-17-31(24)4/h8-13,17,30H,6-7,14-16H2,1-5H3
InChIKeyHETAYBXVIFPXSO-UHFFFAOYSA-N
XLogP4.01
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine?
The IUPAC name of N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine (CID 146591720) is N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine.
What is the SMILES notation for N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine?
The canonical SMILES for N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine is CCOc1cc(-c2nncn2C)ccc1NN1C=Cc2cc(C)nc(N3CC(CC)(OC)C3)c2C1.
What is the InChIKey of N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine?
The InChIKey is HETAYBXVIFPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-6-26(34-5)15-32(16-26)25-21-14-33(11-10-19(21)12-18(3)28-25)30-22-9-8-20(13-23(22)35-7-2)24-29-27-17-31(24)4/h8-13,17,30H,6-7,14-16H2,1-5H3.
What are the key properties of N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine?
N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine has a molecular weight of 475.60 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-8-(3-ethyl-3-methoxyazetidin-1-yl)-6-methyl-1H-2,7-naphthyridin-2-amine is sourced from PubChem (CID 146591720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).