[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate

C23H34N4O5 — CID 121347158

IUPAC[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1ccc(N2CCC23COC3)c(OCC2CC2)n1
InChIInChI=1S/C23H34N4O5/c1-22(2,3)11-16(19(28)24-4)25-21(29)32-18-8-7-17(20(26-18)31-12-15-5-6-15)27-10-9-23(27)13-30-14-23/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyNSXPLTAALDHZLZ-INIZCTEOSA-N
MW446.55 g/mol
LogP2.49
Rot. Bonds8

About [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate

[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (PubChem CID 121347158) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
PubChem CID121347158
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Name[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
SMILESCNC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1ccc(N2CCC23COC3)c(OCC2CC2)n1
InChIInChI=1S/C23H34N4O5/c1-22(2,3)11-16(19(28)24-4)25-21(29)32-18-8-7-17(20(26-18)31-12-15-5-6-15)27-10-9-23(27)13-30-14-23/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,24,28)(H,25,29)/t16-/m0/s1
InChIKeyNSXPLTAALDHZLZ-INIZCTEOSA-N
XLogP2.49
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-[[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)pyridine-2-carbonyl]amino]-2-ethylbutanoate
CID 71087840
[5-cyclopropyl-6-(cyclopropylmethoxy)pyrazin-2-yl] N-[(2S)-3-cyclopropyl-1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 122684604
[6-(cyclopropylmethoxy)-5-(3-hydroxyazetidin-1-yl)-2-pyridinyl] N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347193
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl] N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347261
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 121347234
methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 118418684
6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
CID 118418710
[5-cyclopentyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]carbamate
CID 121347302
[6-(cyclopropylmethoxy)-5-(trifluoromethyl)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 121347083
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyrazin-2-yl] N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]carbamate
CID 122684595
[5-cyclopropyl-6-(cyclopropylmethoxy)-2-pyridinyl] N-[cyclopropyl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]carbamate
CID 121347109
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382

Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The IUPAC name of [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate (CID 121347158) is [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is CNC(=O)[C@H](CC(C)(C)C)NC(=O)Oc1ccc(N2CCC23COC3)c(OCC2CC2)n1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
The InChIKey is NSXPLTAALDHZLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H34N4O5/c1-22(2,3)11-16(19(28)24-4)25-21(29)32-18-8-7-17(20(26-18)31-12-15-5-6-15)27-10-9-23(27)13-30-14-23/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,24,28)(H,25,29)/t16-/m0/s1.
What are the key properties of [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate?
[6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate has a molecular weight of 446.55 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-5-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-2-pyridinyl] N-[(2S)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 121347158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).