N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide

C20H18N6O — CID 59453696

IUPACN-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C20H18N6O/c1-14(27)24-17-4-2-3-15(11-17)12-22-19-5-6-20-23-13-18(26(20)25-19)16-7-9-21-10-8-16/h2-11,13H,12H2,1H3,(H,22,25)(H,24,27)
InChIKeyPFLQBNVKXCESDJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.36
Rot. Bonds5

About N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide

N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide (PubChem CID 59453696) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
PubChem CID59453696
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1
InChIInChI=1S/C20H18N6O/c1-14(27)24-17-4-2-3-15(11-17)12-22-19-5-6-20-23-13-18(26(20)25-19)16-7-9-21-10-8-16/h2-11,13H,12H2,1H3,(H,22,25)(H,24,27)
InChIKeyPFLQBNVKXCESDJ-UHFFFAOYSA-N
XLogP3.36
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-propan-2-yloxyphenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453666
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
N-[3-(6-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
CID 90480157
1-[5-[6-(pyridin-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 126471477
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453652
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide (CID 59453696) is N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNc2ccc3ncc(-c4ccncc4)n3n2)c1.
What is the InChIKey of N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide?
The InChIKey is PFLQBNVKXCESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-14(27)24-17-4-2-3-15(11-17)12-22-19-5-6-20-23-13-18(26(20)25-19)16-7-9-21-10-8-16/h2-11,13H,12H2,1H3,(H,22,25)(H,24,27).
What are the key properties of N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide?
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 59453696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).