Skip to content

4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide

C25H31N5O3S — CID 135372376

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(NCCN3CCS(=O)(=O)CC3)c3cnccc3n2)cc1
InChIInChI=1S/C25H31N5O3S/c1-3-30(4-2)25(31)20-7-5-19(6-8-20)23-17-24(21-18-26-10-9-22(21)28-23)27-11-12-29-13-15-34(32,33)16-14-29/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28)
InChIKeyAYDDXBNAGJRGRY-UHFFFAOYSA-N
MW481.62 g/mol
LogP2.92
Rot. Bonds8

About 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide

4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide (PubChem CID 135372376) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
PubChem CID135372376
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(-c2cc(NCCN3CCS(=O)(=O)CC3)c3cnccc3n2)cc1
InChIInChI=1S/C25H31N5O3S/c1-3-30(4-2)25(31)20-7-5-19(6-8-20)23-17-24(21-18-26-10-9-22(21)28-23)27-11-12-29-13-15-34(32,33)16-14-29/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28)
InChIKeyAYDDXBNAGJRGRY-UHFFFAOYSA-N
XLogP2.92
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide 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 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide (CID 135372376) is 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(-c2cc(NCCN3CCS(=O)(=O)CC3)c3cnccc3n2)cc1.
What is the InChIKey of 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
The InChIKey is AYDDXBNAGJRGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-3-30(4-2)25(31)20-7-5-19(6-8-20)23-17-24(21-18-26-10-9-22(21)28-23)27-11-12-29-13-15-34(32,33)16-14-29/h5-10,17-18H,3-4,11-16H2,1-2H3,(H,27,28).
What are the key properties of 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide?
4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide has a molecular weight of 481.62 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-1,6-naphthyridin-2-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 135372376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.