tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate

C24H33N3O6 — CID 69192070

IUPACtert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
SMILESCOc1ccc2nccc(C=C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C[C@H](O)CO)O3)c2n1
InChIInChI=1S/C24H33N3O6/c1-24(2,3)33-23(30)26-18-8-7-17(32-20(18)13-16(29)14-28)6-5-15-11-12-25-19-9-10-21(31-4)27-22(15)19/h5-6,9-12,16-18,20,28-29H,7-8,13-14H2,1-4H3,(H,26,30)/t16-,17+,18+,20-/m0/s1
InChIKeySXZQKPHGWPXNGO-XFKSJGNHSA-N
MW459.54 g/mol
LogP2.84
Rot. Bonds7

About tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate

tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate (PubChem CID 69192070) has the molecular formula C24H33N3O6 and a molecular weight of 459.54 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
PubChem CID69192070
Molecular FormulaC24H33N3O6
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Nametert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate
SMILESCOc1ccc2nccc(C=C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C[C@H](O)CO)O3)c2n1
InChIInChI=1S/C24H33N3O6/c1-24(2,3)33-23(30)26-18-8-7-17(32-20(18)13-16(29)14-28)6-5-15-11-12-25-19-9-10-21(31-4)27-22(15)19/h5-6,9-12,16-18,20,28-29H,7-8,13-14H2,1-4H3,(H,26,30)/t16-,17+,18+,20-/m0/s1
InChIKeySXZQKPHGWPXNGO-XFKSJGNHSA-N
XLogP2.84
TPSA123.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate (CID 69192070) is tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate is COc1ccc2nccc(C=C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C[C@H](O)CO)O3)c2n1.
What is the InChIKey of tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate?
The InChIKey is SXZQKPHGWPXNGO-XFKSJGNHSA-N. The full InChI is InChI=1S/C24H33N3O6/c1-24(2,3)33-23(30)26-18-8-7-17(32-20(18)13-16(29)14-28)6-5-15-11-12-25-19-9-10-21(31-4)27-22(15)19/h5-6,9-12,16-18,20,28-29H,7-8,13-14H2,1-4H3,(H,26,30)/t16-,17+,18+,20-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate?
tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate has a molecular weight of 459.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R,6S)-2-[(2S)-2,3-dihydroxypropyl]-6-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethenyl]oxan-3-yl]carbamate is sourced from PubChem (CID 69192070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).