N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide

C16H19N3O2 — CID 163437917

IUPACN-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2cccc(O)c2)nn1
InChIInChI=1S/C16H19N3O2/c1-2-3-6-13-8-9-15(19-18-13)17-16(21)11-12-5-4-7-14(20)10-12/h4-5,7-10,20H,2-3,6,11H2,1H3,(H,17,19,21)
InChIKeyAWBRKDJGMLFIDK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.71
Rot. Bonds6

About N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide

N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 163437917) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide
PubChem CID163437917
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)Cc2cccc(O)c2)nn1
InChIInChI=1S/C16H19N3O2/c1-2-3-6-13-8-9-15(19-18-13)17-16(21)11-12-5-4-7-14(20)10-12/h4-5,7-10,20H,2-3,6,11H2,1H3,(H,17,19,21)
InChIKeyAWBRKDJGMLFIDK-UHFFFAOYSA-N
XLogP2.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide (CID 163437917) is N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide is CCCCc1ccc(NC(=O)Cc2cccc(O)c2)nn1.
What is the InChIKey of N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is AWBRKDJGMLFIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-6-13-8-9-15(19-18-13)17-16(21)11-12-5-4-7-14(20)10-12/h4-5,7-10,20H,2-3,6,11H2,1H3,(H,17,19,21).
What are the key properties of N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide?
N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butylpyridazin-3-yl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 163437917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).