1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid

C19H22N4O3 — CID 122660230

IUPAC1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
SMILESCc1cccc(CC(=O)Nc2ccc(N3CCCC(C(=O)O)C3)nn2)c1
InChIInChI=1S/C19H22N4O3/c1-13-4-2-5-14(10-13)11-18(24)20-16-7-8-17(22-21-16)23-9-3-6-15(12-23)19(25)26/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyRIGHRYXQFICJBT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.27
Rot. Bonds5

About 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid

1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid (PubChem CID 122660230) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
PubChem CID122660230
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid
SMILESCc1cccc(CC(=O)Nc2ccc(N3CCCC(C(=O)O)C3)nn2)c1
InChIInChI=1S/C19H22N4O3/c1-13-4-2-5-14(10-13)11-18(24)20-16-7-8-17(22-21-16)23-9-3-6-15(12-23)19(25)26/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyRIGHRYXQFICJBT-UHFFFAOYSA-N
XLogP2.27
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045060
N-[6-[4-(cyanomethyl)piperidin-1-yl]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 122660232
2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
CID 113038996
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]cyclohexanecarboxamide
CID 113043644
2-(3-bromophenyl)-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113039248
2-(4-methoxyphenyl)-N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]acetamide
CID 113045038
(3S)-N-[(4-methylphenyl)methyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93056001
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356580
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
2-(3-bromophenyl)-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]acetamide
CID 113040272
N-[5-[1-[6-[3-(3-methylphenyl)-2-oxopropyl]pyridazin-3-yl]piperidin-3-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 160809349
N-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]cyclopropanecarboxamide
CID 113045004

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid (CID 122660230) is 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid is Cc1cccc(CC(=O)Nc2ccc(N3CCCC(C(=O)O)C3)nn2)c1.
What is the InChIKey of 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid?
The InChIKey is RIGHRYXQFICJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-4-2-5-14(10-13)11-18(24)20-16-7-8-17(22-21-16)23-9-3-6-15(12-23)19(25)26/h2,4-5,7-8,10,15H,3,6,9,11-12H2,1H3,(H,25,26)(H,20,21,24).
What are the key properties of 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid?
1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122660230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).