N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide

C16H15BrN6O — CID 133291305

IUPACN-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
SMILESCc1ccn(-c2ccc(NCC(=O)Nc3ccc(Br)cc3)nn2)n1
InChIInChI=1S/C16H15BrN6O/c1-11-8-9-23(22-11)15-7-6-14(20-21-15)18-10-16(24)19-13-4-2-12(17)3-5-13/h2-9H,10H2,1H3,(H,18,20)(H,19,24)
InChIKeyRAILXLBBEZOWTP-UHFFFAOYSA-N
MW387.24 g/mol
LogP2.78
Rot. Bonds5

About N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide

N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide (PubChem CID 133291305) has the molecular formula C16H15BrN6O and a molecular weight of 387.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
PubChem CID133291305
Molecular FormulaC16H15BrN6O
Molecular Weight387.24 g/mol
Exact Mass386.05
IUPAC NameN-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
SMILESCc1ccn(-c2ccc(NCC(=O)Nc3ccc(Br)cc3)nn2)n1
InChIInChI=1S/C16H15BrN6O/c1-11-8-9-23(22-11)15-7-6-14(20-21-15)18-10-16(24)19-13-4-2-12(17)3-5-13/h2-9H,10H2,1H3,(H,18,20)(H,19,24)
InChIKeyRAILXLBBEZOWTP-UHFFFAOYSA-N
XLogP2.78
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
N-methyl-4-[[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]methyl]benzamide
CID 133290911
2-(1-adamantyl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327239
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
1-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-methylsulfanylphenyl)urea
CID 122327145
3-cyclohexyl-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]propanamide
CID 122327081
2-(2-methylphenoxy)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327185
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiophene-3-carboxamide
CID 122327155
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide (CID 133291305) is N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide is Cc1ccn(-c2ccc(NCC(=O)Nc3ccc(Br)cc3)nn2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide?
The InChIKey is RAILXLBBEZOWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6O/c1-11-8-9-23(22-11)15-7-6-14(20-21-15)18-10-16(24)19-13-4-2-12(17)3-5-13/h2-9H,10H2,1H3,(H,18,20)(H,19,24).
What are the key properties of N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide?
N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide has a molecular weight of 387.24 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide is sourced from PubChem (CID 133291305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).