benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate

C24H27N3O5 — CID 77275542

IUPACbenzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
SMILESCOc1ccc2nccc(CC(O)C3CCC(NC(=O)OCc4ccccc4)CO3)c2n1
InChIInChI=1S/C24H27N3O5/c1-30-22-10-8-19-23(27-22)17(11-12-25-19)13-20(28)21-9-7-18(15-31-21)26-24(29)32-14-16-5-3-2-4-6-16/h2-6,8,10-12,18,20-21,28H,7,9,13-15H2,1H3,(H,26,29)
InChIKeyRHIKRPUWSLDKDR-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.02
Rot. Bonds7

About benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate

benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate (PubChem CID 77275542) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
PubChem CID77275542
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Namebenzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
SMILESCOc1ccc2nccc(CC(O)C3CCC(NC(=O)OCc4ccccc4)CO3)c2n1
InChIInChI=1S/C24H27N3O5/c1-30-22-10-8-19-23(27-22)17(11-12-25-19)13-20(28)21-9-7-18(15-31-21)26-24(29)32-14-16-5-3-2-4-6-16/h2-6,8,10-12,18,20-21,28H,7,9,13-15H2,1H3,(H,26,29)
InChIKeyRHIKRPUWSLDKDR-UHFFFAOYSA-N
XLogP3.02
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
CID 67445927
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
benzyl N-[4-(9-methoxy-2,3-dihydro-1H-[1,4]oxazino[2,3-c][1,5]naphthyridin-2-yl)cyclohexyl]carbamate
CID 67248915
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
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-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026158
(1S)-1-cyclohexyl-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanol;2,3-dihydro-1,4-benzodioxin-6-ylcarbamic acid
CID 68566081
benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
CID 70913909
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate
CID 70913910
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699

Frequently Asked Questions

What is the IUPAC name of benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate?
The IUPAC name of benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate (CID 77275542) is benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate?
The canonical SMILES for benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate is COc1ccc2nccc(CC(O)C3CCC(NC(=O)OCc4ccccc4)CO3)c2n1.
What is the InChIKey of benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate?
The InChIKey is RHIKRPUWSLDKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-22-10-8-19-23(27-22)17(11-12-25-19)13-20(28)21-9-7-18(15-31-21)26-24(29)32-14-16-5-3-2-4-6-16/h2-6,8,10-12,18,20-21,28H,7,9,13-15H2,1H3,(H,26,29).
What are the key properties of benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate?
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate has a molecular weight of 437.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate is sourced from PubChem (CID 77275542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).