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

C12H17ClN4O2 — CID 119506007

IUPACN-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnc2onc(C)c2c1.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-3-13-4-5-14-11(17)9-6-10-8(2)16-18-12(10)15-7-9;/h6-7,13H,3-5H2,1-2H3,(H,14,17);1H
InChIKeyVAXMDDJBNBSLOU-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.29
Rot. Bonds5

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

N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (PubChem CID 119506007) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
PubChem CID119506007
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnc2onc(C)c2c1.Cl
InChIInChI=1S/C12H16N4O2.ClH/c1-3-13-4-5-14-11(17)9-6-10-8(2)16-18-12(10)15-7-9;/h6-7,13H,3-5H2,1-2H3,(H,14,17);1H
InChIKeyVAXMDDJBNBSLOU-UHFFFAOYSA-N
XLogP1.29
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride (CID 119506007) is N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is CCNCCNC(=O)c1cnc2onc(C)c2c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
The InChIKey is VAXMDDJBNBSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c1-3-13-4-5-14-11(17)9-6-10-8(2)16-18-12(10)15-7-9;/h6-7,13H,3-5H2,1-2H3,(H,14,17);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 119506007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).