N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide

C17H25N5O2 — CID 87051141

IUPACN-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NCCN3CCCCCC3)cn2n1
InChIInChI=1S/C17H25N5O2/c1-2-24-16-8-7-15-19-14(13-22(15)20-16)17(23)18-9-12-21-10-5-3-4-6-11-21/h7-8,13H,2-6,9-12H2,1H3,(H,18,23)
InChIKeyDBUIACOIOHBSSK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide

N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide (PubChem CID 87051141) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
PubChem CID87051141
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
SMILESCCOc1ccc2nc(C(=O)NCCN3CCCCCC3)cn2n1
InChIInChI=1S/C17H25N5O2/c1-2-24-16-8-7-15-19-14(13-22(15)20-16)17(23)18-9-12-21-10-5-3-4-6-11-21/h7-8,13H,2-6,9-12H2,1H3,(H,18,23)
InChIKeyDBUIACOIOHBSSK-UHFFFAOYSA-N
XLogP1.73
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-(2-piperidin-1-ylethyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051144
6-methyl-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051439
6-chloro-N-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 87051345
N-[(2,4-dimethoxyphenyl)methyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051100
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
N-[(3-ethoxyphenyl)methyl]-6-methoxyimidazo[1,2-b]pyridazine-2-carboxamide
CID 87051043
6-[(2R)-2-hydroxypropoxy]imidazo[1,2-b]pyridazine-2-carboxylic acid
CID 71236162
6-hydrazinyl-N-(2-piperidin-1-ylethyl)pyridazine-3-carboxamide
CID 62249790
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
6-methoxy-N-[(4-methylphenyl)methyl]imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051013
5-pentyl-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 172619049
9-oxo-N-(2-piperidin-1-ylethyl)-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide
CID 10250784

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide (CID 87051141) is N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide is CCOc1ccc2nc(C(=O)NCCN3CCCCCC3)cn2n1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
The InChIKey is DBUIACOIOHBSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-24-16-8-7-15-19-14(13-22(15)20-16)17(23)18-9-12-21-10-5-3-4-6-11-21/h7-8,13H,2-6,9-12H2,1H3,(H,18,23).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide?
N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-6-ethoxyimidazo[1,2-b]pyridazine-2-carboxamide is sourced from PubChem (CID 87051141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).