tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate

C20H28N4O4 — CID 163299121

IUPACtert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCNC(=O)c1ccc(NC(=O)C2CC23CCN(C(=O)OC(C)(C)C)CC3)cn1
InChIInChI=1S/C20H28N4O4/c1-19(2,3)28-18(27)24-9-7-20(8-10-24)11-14(20)16(25)23-13-5-6-15(22-12-13)17(26)21-4/h5-6,12,14H,7-11H2,1-4H3,(H,21,26)(H,23,25)
InChIKeyXIDJIRZXHQVIOE-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.42
Rot. Bonds3

About tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 163299121) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID163299121
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Nametert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
SMILESCNC(=O)c1ccc(NC(=O)C2CC23CCN(C(=O)OC(C)(C)C)CC3)cn1
InChIInChI=1S/C20H28N4O4/c1-19(2,3)28-18(27)24-9-7-20(8-10-24)11-14(20)16(25)23-13-5-6-15(22-12-13)17(26)21-4/h5-6,12,14H,7-11H2,1-4H3,(H,21,26)(H,23,25)
InChIKeyXIDJIRZXHQVIOE-UHFFFAOYSA-N
XLogP2.42
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-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

1,1,1,3,3,3-hexafluoropropan-2-yl (2S)-2-[(6-carbamoyl-3-pyridinyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 163299058
tert-butyl 7-[6-(methylcarbamoyl)-3-pyridinyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 176613438
tert-butyl (2S,3S)-2-[(8-amino-6-chloro-2,7-naphthyridin-3-yl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 139468916
tert-butyl 3-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]-3-(trifluoromethyl)azetidine-1-carboxylate
CID 171487939
1,1,1,3,3,3-hexafluoropropan-2-yl (2R)-2-[[2-(trifluoromethyl)pyrimidin-5-yl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 164772580
tert-butyl 2-[methoxy(methyl)carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 121207545
tert-butyl 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 59322280
N-(6-chloro-3-pyridinyl)-6-methylspiro[2.5]octane-2-carboxamide
CID 155221409
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 56532103
(2S)-2-(pyrimidin-5-ylcarbamoyl)-6-azaspiro[2.5]octane-6-carboxylic acid
CID 172732798
tert-butyl 4-(5-methylpyridine-2-carbonyl)piperidine-1-carboxylate
CID 134494371

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 163299121) is tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate is CNC(=O)c1ccc(NC(=O)C2CC23CCN(C(=O)OC(C)(C)C)CC3)cn1.
What is the InChIKey of tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is XIDJIRZXHQVIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-19(2,3)28-18(27)24-9-7-20(8-10-24)11-14(20)16(25)23-13-5-6-15(22-12-13)17(26)21-4/h5-6,12,14H,7-11H2,1-4H3,(H,21,26)(H,23,25).
What are the key properties of tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 388.47 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[6-(methylcarbamoyl)-3-pyridinyl]carbamoyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 163299121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).