tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate

C17H26N4O4 — CID 122439079

IUPACtert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cc(C(N)=O)cnc2N)C(C)(C)C1
InChIInChI=1S/C17H26N4O4/c1-16(2,3)25-15(23)21-8-12(17(4,5)9-21)24-11-6-10(14(19)22)7-20-13(11)18/h6-7,12H,8-9H2,1-5H3,(H2,18,20)(H2,19,22)
InChIKeyWFXMIPLNNIMBNA-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.79
Rot. Bonds3

About tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate

tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 122439079) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate
PubChem CID122439079
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Nametert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(Oc2cc(C(N)=O)cnc2N)C(C)(C)C1
InChIInChI=1S/C17H26N4O4/c1-16(2,3)25-15(23)21-8-12(17(4,5)9-21)24-11-6-10(14(19)22)7-20-13(11)18/h6-7,12H,8-9H2,1-5H3,(H2,18,20)(H2,19,22)
InChIKeyWFXMIPLNNIMBNA-UHFFFAOYSA-N
XLogP1.79
TPSA120.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

methyl 6-amino-5-[(3R)-4,4-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypyridine-3-carboxylate
CID 118868316
tert-butyl 7-[(2-amino-3-pyridinyl)oxy]-5-azaspiro[2.4]heptane-5-carboxylate
CID 118868276
tert-butyl 4-acetyloxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 155742097
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 4-(2-amino-5-cyclopropyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 165132372
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl (4S)-4-amino-3,3-dimethylpiperidine-1-carboxylate;hydrochloride
CID 131637058
tert-butyl 5-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-2-carboxylate
CID 66820795
tert-butyl 3-[(4-amino-5-carbamoylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
CID 118043224
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-(2-hydroxyethyl)-3,3-dimethylpyrrolidine-1-carboxylate
CID 155820839
tert-butyl 4-(6-amino-4-cyclopropyloxy-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 138674923

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate (CID 122439079) is tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(Oc2cc(C(N)=O)cnc2N)C(C)(C)C1.
What is the InChIKey of tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is WFXMIPLNNIMBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-16(2,3)25-15(23)21-8-12(17(4,5)9-21)24-11-6-10(14(19)22)7-20-13(11)18/h6-7,12H,8-9H2,1-5H3,(H2,18,20)(H2,19,22).
What are the key properties of tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate?
tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-amino-5-carbamoyl-3-pyridinyl)oxy]-3,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 122439079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).