2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide

C16H19BrN4O — CID 113044304

IUPAC2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
SMILESCC(C)(C)Nc1ccc(NC(=O)Cc2ccccc2Br)nn1
InChIInChI=1S/C16H19BrN4O/c1-16(2,3)19-14-9-8-13(20-21-14)18-15(22)10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyXGQYBFXANBWGHU-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.63
Rot. Bonds4

About 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide

2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide (PubChem CID 113044304) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
PubChem CID113044304
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
SMILESCC(C)(C)Nc1ccc(NC(=O)Cc2ccccc2Br)nn1
InChIInChI=1S/C16H19BrN4O/c1-16(2,3)19-14-9-8-13(20-21-14)18-15(22)10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,19,21)(H,18,20,22)
InChIKeyXGQYBFXANBWGHU-UHFFFAOYSA-N
XLogP3.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045862
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113042022
2-(2-bromophenyl)-N-[6-(ethylamino)-3-pyridinyl]acetamide
CID 115268604
N-[6-(tert-butylamino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113014815
N-[6-(tert-butylamino)pyridazin-3-yl]-3-phenoxypropanamide
CID 113044277
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
CID 84610177
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
ethyl N-[6-(tert-butylamino)pyridazin-3-yl]carbamate
CID 113044300
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
2-(2-bromophenyl)-N-[5-(butan-2-ylamino)-2-pyridinyl]acetamide
CID 113024287
N-[(2-bromophenyl)methyl]-2-(tert-butylamino)acetamide
CID 112727459

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide (CID 113044304) is 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide is CC(C)(C)Nc1ccc(NC(=O)Cc2ccccc2Br)nn1.
What is the InChIKey of 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide?
The InChIKey is XGQYBFXANBWGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-16(2,3)19-14-9-8-13(20-21-14)18-15(22)10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H,19,21)(H,18,20,22).
What are the key properties of 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide?
2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide has a molecular weight of 363.26 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113044304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).