tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate

C26H23Cl2N3O2 — CID 58524274

IUPACtert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23Cl2N3O2/c1-26(2,3)33-25(32)30-15-16-4-6-18(7-5-16)23-20(17-8-10-19(27)11-9-17)14-21-22(31-23)12-13-29-24(21)28/h4-14H,15H2,1-3H3,(H,30,32)
InChIKeyOOWZXUIKOMOLJQ-UHFFFAOYSA-N
MW480.40 g/mol
LogP7.30
Rot. Bonds4

About tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate

tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate (PubChem CID 58524274) has the molecular formula C26H23Cl2N3O2 and a molecular weight of 480.40 g/mol. Its IUPAC name is tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
PubChem CID58524274
Molecular FormulaC26H23Cl2N3O2
Molecular Weight480.40 g/mol
Exact Mass479.12
IUPAC Nametert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23Cl2N3O2/c1-26(2,3)33-25(32)30-15-16-4-6-18(7-5-16)23-20(17-8-10-19(27)11-9-17)14-21-22(31-23)12-13-29-24(21)28/h4-14H,15H2,1-3H3,(H,30,32)
InChIKeyOOWZXUIKOMOLJQ-UHFFFAOYSA-N
XLogP7.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate 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 tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate (CID 58524274) is tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccnc(Cl)c3cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate?
The InChIKey is OOWZXUIKOMOLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O2/c1-26(2,3)33-25(32)30-15-16-4-6-18(7-5-16)23-20(17-8-10-19(27)11-9-17)14-21-22(31-23)12-13-29-24(21)28/h4-14H,15H2,1-3H3,(H,30,32).
What are the key properties of tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate has a molecular weight of 480.40 g/mol, XLogP of 7.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[5-chloro-3-(4-chlorophenyl)-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 58524274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).