benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate

C25H30N4O3 — CID 67445927

IUPACbenzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
SMILESCOc1ccc2nccc(C[C@H](N)C3CCC(NC(=O)OCc4ccccc4)CC3)c2n1
InChIInChI=1S/C25H30N4O3/c1-31-23-12-11-22-24(29-23)19(13-14-27-22)15-21(26)18-7-9-20(10-8-18)28-25(30)32-16-17-5-3-2-4-6-17/h2-6,11-14,18,20-21H,7-10,15-16,26H2,1H3,(H,28,30)/t18?,20?,21-/m0/s1
InChIKeyMQKJWUMMWCURBJ-MNLRITNHSA-N
MW434.54 g/mol
LogP3.99
Rot. Bonds7

About benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate

benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate (PubChem CID 67445927) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
PubChem CID67445927
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Namebenzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate
SMILESCOc1ccc2nccc(C[C@H](N)C3CCC(NC(=O)OCc4ccccc4)CC3)c2n1
InChIInChI=1S/C25H30N4O3/c1-31-23-12-11-22-24(29-23)19(13-14-27-22)15-21(26)18-7-9-20(10-8-18)28-25(30)32-16-17-5-3-2-4-6-17/h2-6,11-14,18,20-21H,7-10,15-16,26H2,1H3,(H,28,30)/t18?,20?,21-/m0/s1
InChIKeyMQKJWUMMWCURBJ-MNLRITNHSA-N
XLogP3.99
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate with MolForge

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Related Compounds

benzyl N-[6-[1-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]carbamate
CID 77275542
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,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026158
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-[[(3S)-1-[(2S)-2-hydroxy-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026170
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
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-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
1-cyclopropyl-2-(4-methoxypyrimidin-2-yl)ethanamine
CID 63353380
(1S)-1-cyclohexyl-2-(6-methoxy-1,5-naphthyridin-4-yl)ethanol;2,3-dihydro-1,4-benzodioxin-6-ylcarbamic acid
CID 68566081
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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate (CID 67445927) is benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate is COc1ccc2nccc(C[C@H](N)C3CCC(NC(=O)OCc4ccccc4)CC3)c2n1.
What is the InChIKey of benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is MQKJWUMMWCURBJ-MNLRITNHSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-31-23-12-11-22-24(29-23)19(13-14-27-22)15-21(26)18-7-9-20(10-8-18)28-25(30)32-16-17-5-3-2-4-6-17/h2-6,11-14,18,20-21H,7-10,15-16,26H2,1H3,(H,28,30)/t18?,20?,21-/m0/s1.
What are the key properties of benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate?
benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 434.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 67445927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).