methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate

C30H40N4O6 — CID 155431409

IUPACmethyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
SMILESCOC(=O)NC1(c2ccccn2)CCC2(CC1)OCC(Cc1cccnc1C1(N)CCC3(CC1)OCC(C)O3)O2
InChIInChI=1S/C30H40N4O6/c1-21-19-37-29(39-21)12-8-27(31,9-13-29)25-22(6-5-17-33-25)18-23-20-38-30(40-23)14-10-28(11-15-30,34-26(35)36-2)24-7-3-4-16-32-24/h3-7,16-17,21,23H,8-15,18-20,31H2,1-2H3,(H,34,35)
InChIKeyWIJYKZGKPNJULV-UHFFFAOYSA-N
MW552.67 g/mol
LogP3.82
Rot. Bonds5

About methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate

methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate (PubChem CID 155431409) has the molecular formula C30H40N4O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
PubChem CID155431409
Molecular FormulaC30H40N4O6
Molecular Weight552.67 g/mol
Exact Mass552.29
IUPAC Namemethyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate
SMILESCOC(=O)NC1(c2ccccn2)CCC2(CC1)OCC(Cc1cccnc1C1(N)CCC3(CC1)OCC(C)O3)O2
InChIInChI=1S/C30H40N4O6/c1-21-19-37-29(39-21)12-8-27(31,9-13-29)25-22(6-5-17-33-25)18-23-20-38-30(40-23)14-10-28(11-15-30,34-26(35)36-2)24-7-3-4-16-32-24/h3-7,16-17,21,23H,8-15,18-20,31H2,1-2H3,(H,34,35)
InChIKeyWIJYKZGKPNJULV-UHFFFAOYSA-N
XLogP3.82
TPSA127.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-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

Related Compounds

methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
CID 118666490
methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
CID 83907472
methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
CID 155198395
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 67217666
methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
CID 142662167
methyl 4-pyridin-2-ylcubane-1-carboxylate
CID 166636836
(8R)-N-[[(3R)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 124627825
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948
8-amino-3-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 67379021
2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 70811783
7-pyridin-2-yl-1,4-dioxonan-7-amine
CID 134570717

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The IUPAC name of methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate (CID 155431409) is methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate.
What is the SMILES notation for methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The canonical SMILES for methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate is COC(=O)NC1(c2ccccn2)CCC2(CC1)OCC(Cc1cccnc1C1(N)CCC3(CC1)OCC(C)O3)O2.
What is the InChIKey of methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
The InChIKey is WIJYKZGKPNJULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O6/c1-21-19-37-29(39-21)12-8-27(31,9-13-29)25-22(6-5-17-33-25)18-23-20-38-30(40-23)14-10-28(11-15-30,34-26(35)36-2)24-7-3-4-16-32-24/h3-7,16-17,21,23H,8-15,18-20,31H2,1-2H3,(H,34,35).
What are the key properties of methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate?
methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate has a molecular weight of 552.67 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[2-(8-amino-3-methyl-1,4-dioxaspiro[4.5]decan-8-yl)-3-pyridinyl]methyl]-8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl]carbamate is sourced from PubChem (CID 155431409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).