tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

C22H25N3O4 — CID 166195885

IUPACtert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25-18-11-14(18)12-19(25)20(26)24-15-6-8-16(9-7-15)28-17-5-4-10-23-13-17/h4-10,13-14,18-19H,11-12H2,1-3H3,(H,24,26)/t14-,18-,19+/m1/s1
InChIKeyQUFFJFQSPRUJJE-ZMYBRWDISA-N
MW395.46 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate

tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate (PubChem CID 166195885) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
PubChem CID166195885
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nametert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25-18-11-14(18)12-19(25)20(26)24-15-6-8-16(9-7-15)28-17-5-4-10-23-13-17/h4-10,13-14,18-19H,11-12H2,1-3H3,(H,24,26)/t14-,18-,19+/m1/s1
InChIKeyQUFFJFQSPRUJJE-ZMYBRWDISA-N
XLogP4.21
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate 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

Asp-8477
CID 15950844
1-benzyl-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24793833
1-[(4,5-dimethyl-2-furyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidinecarboxamide
CID 24819239
1-(4-methylbenzyl)-N-[2-(3-pyridinyloxy)phenyl]prolinamide
CID 45248164
1-[(5-methylfuran-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 24817472
N-[(1S)-1-[5-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxy-2-pyridinyl]ethyl]acetamide
CID 117872416
1-[[(4R)-1-[(2S)-2-[[(2S)-2-acetamido-2-cyclohexyl-acetyl]amino]-3-methyl-butanoyl]-4-(3-pyridyloxy)pyrrolidine-2-carbonyl]amino]cyclopropanecarboxylic acid
CID 5278205
N-(2-Ethoxyphenyl)-2-(morpholine-4-carbonyl)-4-(pyridin-3-yloxy)pyrrolidine-1-carboxamide
CID 110198696
(2S,4S)-N-cyclopropyl-1-(3-methylbutanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198982
1-[(5-ethyl-2-furyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 42518389
tert-Butyl 2-amino-1-((5-(benzyloxy)-2-pyridinyl)methyl)-2-oxoethylcarbamate
CID 385334
1-[3-(1-methylcyclopropyl)propanoyl]-N-[2-(3-pyridinyloxy)phenyl]prolinamide
CID 45216987

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The IUPAC name of tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate (CID 166195885) is tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate.
What is the SMILES notation for tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The canonical SMILES for tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate is CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
The InChIKey is QUFFJFQSPRUJJE-ZMYBRWDISA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25-18-11-14(18)12-19(25)20(26)24-15-6-8-16(9-7-15)28-17-5-4-10-23-13-17/h4-10,13-14,18-19H,11-12H2,1-3H3,(H,24,26)/t14-,18-,19+/m1/s1.
What are the key properties of tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate?
tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,3S,5R)-3-[(4-pyridin-3-yloxyphenyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate is sourced from PubChem (CID 166195885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).