4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide

C21H30N6O2 — CID 171638706

IUPAC4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C21H30N6O2/c1-15(2)23-20(29)8-5-9-26-10-12-27(13-11-26)18-14-17(24-25-21(18)22)16-6-3-4-7-19(16)28/h3-4,6-7,14-15,28H,5,8-13H2,1-2H3,(H2,22,25)(H,23,29)
InChIKeyUZPXVNCVFOIKOU-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.86
Rot. Bonds7

About 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide

4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide (PubChem CID 171638706) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide
PubChem CID171638706
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CCCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C21H30N6O2/c1-15(2)23-20(29)8-5-9-26-10-12-27(13-11-26)18-14-17(24-25-21(18)22)16-6-3-4-7-19(16)28/h3-4,6-7,14-15,28H,5,8-13H2,1-2H3,(H2,22,25)(H,23,29)
InChIKeyUZPXVNCVFOIKOU-UHFFFAOYSA-N
XLogP1.86
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822
1-[3-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-1,4-diazepan-1-yl]pyrimidin-2-yl]prop-2-ynyl]-3-propan-2-ylurea
CID 177249574
2-[6-amino-5-[4-[[4-(3-hydroxypropyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 146522870
2-[4-[3-amino-6-(2-methoxycarbonylphenyl)pyridazin-4-yl]piperazin-1-yl]acetic acid
CID 157254370
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]propan-1-one
CID 137045891
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
2-[4-[3-amino-6-(2-hydroxy-3-methylphenyl)pyridazin-4-yl]piperazin-1-yl]acetic acid
CID 158657999
2-[2-[2-[2-[3-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 137045894

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide (CID 171638706) is 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide is CC(C)NC(=O)CCCN1CCN(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide?
The InChIKey is UZPXVNCVFOIKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15(2)23-20(29)8-5-9-26-10-12-27(13-11-26)18-14-17(24-25-21(18)22)16-6-3-4-7-19(16)28/h3-4,6-7,14-15,28H,5,8-13H2,1-2H3,(H2,22,25)(H,23,29).
What are the key properties of 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide?
4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide has a molecular weight of 398.51 g/mol, XLogP of 1.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 171638706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).