1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid

C17H18N4O3 — CID 122051199

IUPAC1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccccc1)c1ccc(N2CCCC(C(=O)O)C2)nn1
InChIInChI=1S/C17H18N4O3/c22-16(18-13-6-2-1-3-7-13)14-8-9-15(20-19-14)21-10-4-5-12(11-21)17(23)24/h1-3,6-9,12H,4-5,10-11H2,(H,18,22)(H,23,24)
InChIKeyCZPLRQNTIDXYNE-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.03
Rot. Bonds4

About 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid

1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid (PubChem CID 122051199) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
PubChem CID122051199
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
SMILESO=C(Nc1ccccc1)c1ccc(N2CCCC(C(=O)O)C2)nn1
InChIInChI=1S/C17H18N4O3/c22-16(18-13-6-2-1-3-7-13)14-8-9-15(20-19-14)21-10-4-5-12(11-21)17(23)24/h1-3,6-9,12H,4-5,10-11H2,(H,18,22)(H,23,24)
InChIKeyCZPLRQNTIDXYNE-UHFFFAOYSA-N
XLogP2.03
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]pyridazine-3-carboxamide
CID 133313626
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496
6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133363865
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-[(3S)-3-anilinopiperidin-1-yl]-N-ethylpyridazine-3-carboxamide
CID 97099971
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-(4-cyanophenyl)-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109126028
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205

Frequently Asked Questions

What is the IUPAC name of 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid (CID 122051199) is 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid is O=C(Nc1ccccc1)c1ccc(N2CCCC(C(=O)O)C2)nn1.
What is the InChIKey of 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
The InChIKey is CZPLRQNTIDXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-16(18-13-6-2-1-3-7-13)14-8-9-15(20-19-14)21-10-4-5-12(11-21)17(23)24/h1-3,6-9,12H,4-5,10-11H2,(H,18,22)(H,23,24).
What are the key properties of 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid?
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122051199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).