tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate

C25H35N5O5 — CID 167710905

IUPACtert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate
SMILESC=C1NC(CCCNC(=O)OC(C)(C)C)C(=O)N1C1CC2(CC(Oc3ncccc3C(N)=O)C2)C1
InChIInChI=1S/C25H35N5O5/c1-15-29-19(8-6-10-28-23(33)35-24(2,3)4)22(32)30(15)16-11-25(12-16)13-17(14-25)34-21-18(20(26)31)7-5-9-27-21/h5,7,9,16-17,19,29H,1,6,8,10-14H2,2-4H3,(H2,26,31)(H,28,33)
InChIKeyYEVVOLMWLMGUNJ-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.45
Rot. Bonds8

About tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate

tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate (PubChem CID 167710905) has the molecular formula C25H35N5O5 and a molecular weight of 485.59 g/mol. Its IUPAC name is tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate
PubChem CID167710905
Molecular FormulaC25H35N5O5
Molecular Weight485.59 g/mol
Exact Mass485.26
IUPAC Nametert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate
SMILESC=C1NC(CCCNC(=O)OC(C)(C)C)C(=O)N1C1CC2(CC(Oc3ncccc3C(N)=O)C2)C1
InChIInChI=1S/C25H35N5O5/c1-15-29-19(8-6-10-28-23(33)35-24(2,3)4)22(32)30(15)16-11-25(12-16)13-17(14-25)34-21-18(20(26)31)7-5-9-27-21/h5,7,9,16-17,19,29H,1,6,8,10-14H2,2-4H3,(H2,26,31)(H,28,33)
InChIKeyYEVVOLMWLMGUNJ-UHFFFAOYSA-N
XLogP2.45
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[6-[2-methylidene-5-oxo-4-(3-sulfamoylpropyl)imidazolidin-1-yl]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 167568395
2-[6-(2-methylidene-5-oxo-4-prop-2-ynylimidazolidin-1-yl)spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 167710900
tert-butyl N-[3-[[2-(thiolan-3-yloxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815760
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
7-bromo-N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-(2,2-difluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413453
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
2-[6-[[5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carbonyl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406315
tert-butyl N-[5-(2-ethoxy-3-pyridinyl)-5-oxopentyl]carbamate
CID 102539404
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-chloro-8-methoxyimidazo[1,2-b]pyridazine-3-carboxamide
CID 137413250
2-[6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 153496207
N-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-6-[(2R)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 156699722

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate (CID 167710905) is tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate is C=C1NC(CCCNC(=O)OC(C)(C)C)C(=O)N1C1CC2(CC(Oc3ncccc3C(N)=O)C2)C1.
What is the InChIKey of tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate?
The InChIKey is YEVVOLMWLMGUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O5/c1-15-29-19(8-6-10-28-23(33)35-24(2,3)4)22(32)30(15)16-11-25(12-16)13-17(14-25)34-21-18(20(26)31)7-5-9-27-21/h5,7,9,16-17,19,29H,1,6,8,10-14H2,2-4H3,(H2,26,31)(H,28,33).
What are the key properties of tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate?
tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate has a molecular weight of 485.59 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[1-[2-[(3-carbamoyl-2-pyridinyl)oxy]spiro[3.3]heptan-6-yl]-2-methylidene-5-oxoimidazolidin-4-yl]propyl]carbamate is sourced from PubChem (CID 167710905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).