[5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate

C25H30N4O5 — CID 174713314

IUPAC[5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate
SMILESCC(CCNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O)C(C)(C)OC(N)=O
InChIInChI=1S/C25H30N4O5/c1-16(25(2,3)34-24(26)33)9-12-27-22(31)20-21(30)18-11-14-29(23(32)19(18)15-28-20)13-10-17-7-5-4-6-8-17/h4-8,11,14-16,30H,9-10,12-13H2,1-3H3,(H2,26,33)(H,27,31)
InChIKeyVSQIXMOGMDICKJ-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.97
Rot. Bonds9

About [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate

[5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate (PubChem CID 174713314) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate
PubChem CID174713314
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name[5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate
SMILESCC(CCNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O)C(C)(C)OC(N)=O
InChIInChI=1S/C25H30N4O5/c1-16(25(2,3)34-24(26)33)9-12-27-22(31)20-21(30)18-11-14-29(23(32)19(18)15-28-20)13-10-17-7-5-4-6-8-17/h4-8,11,14-16,30H,9-10,12-13H2,1-3H3,(H2,26,33)(H,27,31)
InChIKeyVSQIXMOGMDICKJ-UHFFFAOYSA-N
XLogP2.97
TPSA136.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] 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 [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate?
The IUPAC name of [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate (CID 174713314) is [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate is CC(CCNC(=O)c1ncc2c(=O)n(CCc3ccccc3)ccc2c1O)C(C)(C)OC(N)=O.
What is the InChIKey of [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate?
The InChIKey is VSQIXMOGMDICKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-16(25(2,3)34-24(26)33)9-12-27-22(31)20-21(30)18-11-14-29(23(32)19(18)15-28-20)13-10-17-7-5-4-6-8-17/h4-8,11,14-16,30H,9-10,12-13H2,1-3H3,(H2,26,33)(H,27,31).
What are the key properties of [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate?
[5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate has a molecular weight of 466.54 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-hydroxy-8-oxo-7-(2-phenylethyl)-2,7-naphthyridine-3-carbonyl]amino]-2,3-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 174713314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).