6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide

C16H17N5O2 — CID 87051132

IUPAC6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NC(C)c3cccnc3)cn2n1
InChIInChI=1S/C16H17N5O2/c1-3-23-15-7-6-14-19-13(10-21(14)20-15)16(22)18-11(2)12-5-4-8-17-9-12/h4-11H,3H2,1-2H3,(H,18,22)
InChIKeyURZDXDHUYOXXLO-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.01
Rot. Bonds5

About 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide

6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051132) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051132
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NC(C)c3cccnc3)cn2n1
InChIInChI=1S/C16H17N5O2/c1-3-23-15-7-6-14-19-13(10-21(14)20-15)16(22)18-11(2)12-5-4-8-17-9-12/h4-11H,3H2,1-2H3,(H,18,22)
InChIKeyURZDXDHUYOXXLO-UHFFFAOYSA-N
XLogP2.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide (CID 87051132) is 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide is CCOc1ccc2nc(C(=O)NC(C)c3cccnc3)cn2n1.
What is the InChIKey of 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is URZDXDHUYOXXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-3-23-15-7-6-14-19-13(10-21(14)20-15)16(22)18-11(2)12-5-4-8-17-9-12/h4-11H,3H2,1-2H3,(H,18,22).
What are the key properties of 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide?
6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(1-pyridin-3-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).