N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid

C14H20N4O5 — CID 3070175

IUPACN,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid
SMILESCCN(CC)CCOc1nc2ncccc2[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C12H18N4O.C2H2O4/c1-3-16(4-2)8-9-17-12-14-10-6-5-7-13-11(10)15-12;3-1(4)2(5)6/h5-7H,3-4,8-9H2,1-2H3,(H,13,14,15);(H,3,4)(H,5,6)
InChIKeyPQGHNJXXUAAPCY-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.83
Rot. Bonds6

About N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid

N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid (PubChem CID 3070175) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid
PubChem CID3070175
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC NameN,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid
SMILESCCN(CC)CCOc1nc2ncccc2[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C12H18N4O.C2H2O4/c1-3-16(4-2)8-9-17-12-14-10-6-5-7-13-11(10)15-12;3-1(4)2(5)6/h5-7H,3-4,8-9H2,1-2H3,(H,13,14,15);(H,3,4)(H,5,6)
InChIKeyPQGHNJXXUAAPCY-UHFFFAOYSA-N
XLogP0.83
TPSA128.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid?
The IUPAC name of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid (CID 3070175) is N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid.
What is the SMILES notation for N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid?
The canonical SMILES for N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid is CCN(CC)CCOc1nc2ncccc2[nH]1.O=C(O)C(=O)O.
What is the InChIKey of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid?
The InChIKey is PQGHNJXXUAAPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O.C2H2O4/c1-3-16(4-2)8-9-17-12-14-10-6-5-7-13-11(10)15-12;3-1(4)2(5)6/h5-7H,3-4,8-9H2,1-2H3,(H,13,14,15);(H,3,4)(H,5,6).
What are the key properties of N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid?
N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid has a molecular weight of 324.34 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-imidazo[4,5-b]pyridin-2-yloxy)ethanamine;oxalic acid is sourced from PubChem (CID 3070175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).