tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride

C16H24ClN3O5 — CID 175803106

IUPACtert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride
SMILESCN(N)C(=O)c1cc(=O)n(C2CC(O)C2)cc1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C16H23N3O5.ClH/c1-16(2,3)24-15(23)12-8-19(9-5-10(20)6-9)13(21)7-11(12)14(22)18(4)17;/h7-10,20H,5-6,17H2,1-4H3;1H
InChIKeyAXMWDQIQCWFEJT-UHFFFAOYSA-N
MW373.84 g/mol
LogP0.87
Rot. Bonds3

About tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride

tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride (PubChem CID 175803106) has the molecular formula C16H24ClN3O5 and a molecular weight of 373.84 g/mol. Its IUPAC name is tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride
PubChem CID175803106
Molecular FormulaC16H24ClN3O5
Molecular Weight373.84 g/mol
Exact Mass373.14
IUPAC Nametert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride
SMILESCN(N)C(=O)c1cc(=O)n(C2CC(O)C2)cc1C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C16H23N3O5.ClH/c1-16(2,3)24-15(23)12-8-19(9-5-10(20)6-9)13(21)7-11(12)14(22)18(4)17;/h7-10,20H,5-6,17H2,1-4H3;1H
InChIKeyAXMWDQIQCWFEJT-UHFFFAOYSA-N
XLogP0.87
TPSA114.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride (CID 175803106) is tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride is CN(N)C(=O)c1cc(=O)n(C2CC(O)C2)cc1C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride?
The InChIKey is AXMWDQIQCWFEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5.ClH/c1-16(2,3)24-15(23)12-8-19(9-5-10(20)6-9)13(21)7-11(12)14(22)18(4)17;/h7-10,20H,5-6,17H2,1-4H3;1H.
What are the key properties of tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride?
tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride has a molecular weight of 373.84 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[amino(methyl)carbamoyl]-1-(3-hydroxycyclobutyl)-6-oxopyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 175803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).