[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate

C20H25N3O3 — CID 86610669

IUPAC[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate
SMILESCC[C@@H]1C[C@H](NC(=O)O[C@H](C)c2ccccc2)c2nc(OC)ccc2N1
InChIInChI=1S/C20H25N3O3/c1-4-15-12-17(19-16(21-15)10-11-18(23-19)25-3)22-20(24)26-13(2)14-8-6-5-7-9-14/h5-11,13,15,17,21H,4,12H2,1-3H3,(H,22,24)/t13-,15-,17+/m1/s1
InChIKeyJYBRZXFKKOLTAU-UNEWFSDZSA-N
MW355.44 g/mol
LogP4.21
Rot. Bonds5

About [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate

[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate (PubChem CID 86610669) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate
PubChem CID86610669
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate
SMILESCC[C@@H]1C[C@H](NC(=O)O[C@H](C)c2ccccc2)c2nc(OC)ccc2N1
InChIInChI=1S/C20H25N3O3/c1-4-15-12-17(19-16(21-15)10-11-18(23-19)25-3)22-20(24)26-13(2)14-8-6-5-7-9-14/h5-11,13,15,17,21H,4,12H2,1-3H3,(H,22,24)/t13-,15-,17+/m1/s1
InChIKeyJYBRZXFKKOLTAU-UNEWFSDZSA-N
XLogP4.21
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-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 [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate (CID 86610669) is [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate is CC[C@@H]1C[C@H](NC(=O)O[C@H](C)c2ccccc2)c2nc(OC)ccc2N1.
What is the InChIKey of [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate?
The InChIKey is JYBRZXFKKOLTAU-UNEWFSDZSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-15-12-17(19-16(21-15)10-11-18(23-19)25-3)22-20(24)26-13(2)14-8-6-5-7-9-14/h5-11,13,15,17,21H,4,12H2,1-3H3,(H,22,24)/t13-,15-,17+/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate?
[(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate has a molecular weight of 355.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-[(2R,4S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydro-1,5-naphthyridin-4-yl]carbamate is sourced from PubChem (CID 86610669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).