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

C12H17ClN4O2 — CID 119627151

IUPACN-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCc1noc2ncc(C(=O)NCC(C)(C)N)cc12.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-7-9-4-8(5-14-11(9)18-16-7)10(17)15-6-12(2,3)13;/h4-5H,6,13H2,1-3H3,(H,15,17);1H
InChIKeyDXVQECVYWRBQSQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.42
Rot. Bonds3

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

N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 119627151) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
PubChem CID119627151
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCc1noc2ncc(C(=O)NCC(C)(C)N)cc12.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-7-9-4-8(5-14-11(9)18-16-7)10(17)15-6-12(2,3)13;/h4-5H,6,13H2,1-3H3,(H,15,17);1H
InChIKeyDXVQECVYWRBQSQ-UHFFFAOYSA-N
XLogP1.42
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (CID 119627151) is N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is Cc1noc2ncc(C(=O)NCC(C)(C)N)cc12.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is DXVQECVYWRBQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c1-7-9-4-8(5-14-11(9)18-16-7)10(17)15-6-12(2,3)13;/h4-5H,6,13H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119627151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).