tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate

C21H30N4O4 — CID 67378331

IUPACtert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
SMILESCOc1ccc2nccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C21H30N4O4/c1-21(2,3)29-20(26)24-16(17-7-5-14(22)12-28-17)11-13-9-10-23-15-6-8-18(27-4)25-19(13)15/h6,8-10,14,16-17H,5,7,11-12,22H2,1-4H3,(H,24,26)/t14-,16+,17+/m1/s1
InChIKeySJFNFRILGYGESJ-PVAVHDDUSA-N
MW402.50 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate (PubChem CID 67378331) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
PubChem CID67378331
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Nametert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
SMILESCOc1ccc2nccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H]3CC[C@@H](N)CO3)c2n1
InChIInChI=1S/C21H30N4O4/c1-21(2,3)29-20(26)24-16(17-7-5-14(22)12-28-17)11-13-9-10-23-15-6-8-18(27-4)25-19(13)15/h6,8-10,14,16-17H,5,7,11-12,22H2,1-4H3,(H,24,26)/t14-,16+,17+/m1/s1
InChIKeySJFNFRILGYGESJ-PVAVHDDUSA-N
XLogP2.58
TPSA108.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]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-[1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 68515944
tert-butyl N-[(1S)-1-(5-aminooxan-2-yl)-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate
CID 123557572
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721
tert-butyl N-[(2R,3R,6S)-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-[(1S)-1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 67996106
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542
tert-butyl N-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-[5-[(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)methylamino]oxan-2-yl]ethyl]carbamate
CID 67365947
tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-pyridin-4-ylethyl]carbamate
CID 10587696
6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-thiopyrano[3,2-b]pyridin-3-one
CID 68517776
benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
CID 67445927
tert-butyl N-[3-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-azabicyclo[4.1.0]heptan-6-yl]carbamate
CID 59776917
1-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
CID 68638441
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate (CID 67378331) is tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate is COc1ccc2nccc(C[C@H](NC(=O)OC(C)(C)C)[C@@H]3CC[C@@H](N)CO3)c2n1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate?
The InChIKey is SJFNFRILGYGESJ-PVAVHDDUSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-21(2,3)29-20(26)24-16(17-7-5-14(22)12-28-17)11-13-9-10-23-15-6-8-18(27-4)25-19(13)15/h6,8-10,14,16-17H,5,7,11-12,22H2,1-4H3,(H,24,26)/t14-,16+,17+/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate has a molecular weight of 402.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]carbamate is sourced from PubChem (CID 67378331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).