tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate

C26H24IN3O3 — CID 58524660

IUPACtert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2nc3c(I)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H24IN3O3/c1-26(2,3)33-25(32)29-14-16-9-11-18(12-10-16)22-19(17-7-5-4-6-8-17)13-20-23(30-22)21(27)15-28-24(20)31/h4-13,15H,14H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyNYBYLFCMOXOMEF-UHFFFAOYSA-N
MW553.40 g/mol
LogP5.89
Rot. Bonds4

About tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate

tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate (PubChem CID 58524660) has the molecular formula C26H24IN3O3 and a molecular weight of 553.40 g/mol. Its IUPAC name is tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate
PubChem CID58524660
Molecular FormulaC26H24IN3O3
Molecular Weight553.40 g/mol
Exact Mass553.09
IUPAC Nametert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2nc3c(I)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H24IN3O3/c1-26(2,3)33-25(32)29-14-16-9-11-18(12-10-16)22-19(17-7-5-4-6-8-17)13-20-23(30-22)21(27)15-28-24(20)31/h4-13,15H,14H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyNYBYLFCMOXOMEF-UHFFFAOYSA-N
XLogP5.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.40
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-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

Related Compounds

tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
CID 121449320
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
tert-butyl N-[[4-[5-[N-(1-aminoethylidene)carbamimidoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 91226793
tert-butyl N-[[4-[3-phenyl-5-[[pyridine-4-carbonyl(1,2,3,6-tetrahydropyridin-4-ylmethyl)amino]methyl]-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 70865178
tert-butyl N-[[4-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]phenyl]methyl]carbamate
CID 157040236
tert-butyl-[[4-[8-(furan-2-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methyl]carbamic acid
CID 67001931
tert-butyl N-[[4-[5-(methylamino)-1H-pyrrol-3-yl]phenyl]methyl]carbamate
CID 141329791
2-[4-(aminomethyl)phenyl]-8-(4-methylthiophen-3-yl)-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171929567
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate (CID 58524660) is tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(I)c[nH]c(=O)c3cc2-c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate?
The InChIKey is NYBYLFCMOXOMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24IN3O3/c1-26(2,3)33-25(32)29-14-16-9-11-18(12-10-16)22-19(17-7-5-4-6-8-17)13-20-23(30-22)21(27)15-28-24(20)31/h4-13,15H,14H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate has a molecular weight of 553.40 g/mol, XLogP of 5.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 58524660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).