N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

C19H21N5O2 — CID 6419813

IUPACN-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C19H21N5O2/c1-13(25)21-16-4-2-3-14(11-16)17-12-20-19-6-5-18(23-24(17)19)22-15-7-9-26-10-8-15/h2-6,11-12,15H,7-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyWXHHSNLRMCAIPE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.95
Rot. Bonds4

About N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 6419813) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID6419813
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C19H21N5O2/c1-13(25)21-16-4-2-3-14(11-16)17-12-20-19-6-5-18(23-24(17)19)22-15-7-9-26-10-8-15/h2-6,11-12,15H,7-10H2,1H3,(H,21,25)(H,22,23)
InChIKeyWXHHSNLRMCAIPE-UHFFFAOYSA-N
XLogP2.95
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 6419813) is N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.
What is the InChIKey of N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is WXHHSNLRMCAIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(25)21-16-4-2-3-14(11-16)17-12-20-19-6-5-18(23-24(17)19)22-15-7-9-26-10-8-15/h2-6,11-12,15H,7-10H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 6419813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).