N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

C18H19ClN4O4 — CID 119618472

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2cc3c(cc2N)OCO3)c2c(C(C)C)noc2n1.Cl
InChIInChI=1S/C18H18N4O4.ClH/c1-8(2)16-15-10(4-9(3)20-18(15)26-22-16)17(23)21-12-6-14-13(5-11(12)19)24-7-25-14;/h4-6,8H,7,19H2,1-3H3,(H,21,23);1H
InChIKeyUVZGPRGJSNXYBY-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.64
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (PubChem CID 119618472) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
PubChem CID119618472
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2cc3c(cc2N)OCO3)c2c(C(C)C)noc2n1.Cl
InChIInChI=1S/C18H18N4O4.ClH/c1-8(2)16-15-10(4-9(3)20-18(15)26-22-16)17(23)21-12-6-14-13(5-11(12)19)24-7-25-14;/h4-6,8H,7,19H2,1-3H3,(H,21,23);1H
InChIKeyUVZGPRGJSNXYBY-UHFFFAOYSA-N
XLogP3.64
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119618461
N-(2-amino-5-methoxyphenyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119421161
N-(6-amino-1,3-benzodioxol-5-yl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119618181
N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119497068
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120566642
3-[3-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 120613979
6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119462057
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
N-(6-amino-1,3-benzodioxol-5-yl)-2-bromobenzamide
CID 43548363
N-(6-amino-1,3-benzodioxol-5-yl)-3,4-dimethylbenzamide
CID 43548296
6-methyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392497

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride (CID 119618472) is N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is Cc1cc(C(=O)Nc2cc3c(cc2N)OCO3)c2c(C(C)C)noc2n1.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
The InChIKey is UVZGPRGJSNXYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4.ClH/c1-8(2)16-15-10(4-9(3)20-18(15)26-22-16)17(23)21-12-6-14-13(5-11(12)19)24-7-25-14;/h4-6,8H,7,19H2,1-3H3,(H,21,23);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride has a molecular weight of 390.83 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119618472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).