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

C24H28N4O4 — CID 59026158

IUPACbenzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
SMILESCOc1ccc2nccc(CCN3C[C@H](CNC(=O)OCc4ccccc4)[C@H](O)C3)c2n1
InChIInChI=1S/C24H28N4O4/c1-31-22-8-7-20-23(27-22)18(9-11-25-20)10-12-28-14-19(21(29)15-28)13-26-24(30)32-16-17-5-3-2-4-6-17/h2-9,11,19,21,29H,10,12-16H2,1H3,(H,26,30)/t19-,21+/m0/s1
InChIKeyJHJHYEIRCSKFDU-PZJWPPBQSA-N
MW436.51 g/mol
LogP2.40
Rot. Bonds8

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

benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate (PubChem CID 59026158) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
PubChem CID59026158
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namebenzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
SMILESCOc1ccc2nccc(CCN3C[C@H](CNC(=O)OCc4ccccc4)[C@H](O)C3)c2n1
InChIInChI=1S/C24H28N4O4/c1-31-22-8-7-20-23(27-22)18(9-11-25-20)10-12-28-14-19(21(29)15-28)13-26-24(30)32-16-17-5-3-2-4-6-17/h2-9,11,19,21,29H,10,12-16H2,1H3,(H,26,30)/t19-,21+/m0/s1
InChIKeyJHJHYEIRCSKFDU-PZJWPPBQSA-N
XLogP2.40
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[[(3R,4S)-1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methyl]carbamate
CID 131728028
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
(3S,4S)-4-[[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 11677117
benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
CID 67445927
2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 68852328
benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542
1-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-1-methylhydrazine
CID 58919507
6-[[[(3S,4R)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
CID 11705404
benzyl N-[(2-isoquinolin-1-ylcyclopropyl)methyl]carbamate
CID 90220932
benzyl N-[3-[(8-amino-1,5-naphthyridin-2-yl)oxy]propyl]carbamate;hydrochloride
CID 162323367
8-[2-[(3aR,6aS)-5-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 59011512
1-[(2S,5R)-5-aminooxan-2-yl]-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanone
CID 141309721

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate (CID 59026158) is benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate is COc1ccc2nccc(CCN3C[C@H](CNC(=O)OCc4ccccc4)[C@H](O)C3)c2n1.
What is the InChIKey of benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is JHJHYEIRCSKFDU-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-31-22-8-7-20-23(27-22)18(9-11-25-20)10-12-28-14-19(21(29)15-28)13-26-24(30)32-16-17-5-3-2-4-6-17/h2-9,11,19,21,29H,10,12-16H2,1H3,(H,26,30)/t19-,21+/m0/s1.
What are the key properties of benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate?
benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 436.51 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 59026158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).