1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C17H23N5O — CID 121118673

IUPAC1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCCn3cccc3)C2)nn1
InChIInChI=1S/C17H23N5O/c1-14-6-7-16(20-19-14)22-11-4-5-15(13-22)17(23)18-8-12-21-9-2-3-10-21/h2-3,6-7,9-10,15H,4-5,8,11-13H2,1H3,(H,18,23)
InChIKeyZUIRXFRJBPKQSS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.62
Rot. Bonds5

About 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 121118673) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID121118673
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(C(=O)NCCn3cccc3)C2)nn1
InChIInChI=1S/C17H23N5O/c1-14-6-7-16(20-19-14)22-11-4-5-15(13-22)17(23)18-8-12-21-9-2-3-10-21/h2-3,6-7,9-10,15H,4-5,8,11-13H2,1H3,(H,18,23)
InChIKeyZUIRXFRJBPKQSS-UHFFFAOYSA-N
XLogP1.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]piperidine-3-carboxamide
CID 121118653
N-[(2,6-difluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118700
N-[2-(4-methylphenoxy)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118608
N-[(4-fluorophenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118477
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
1-(6-methylpyridazin-3-yl)-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 121118591
N-(2,3-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 71794774
N-(3-acetamidophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118445
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
N-(1,3-benzodioxol-5-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118410

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 121118673) is 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is Cc1ccc(N2CCCC(C(=O)NCCn3cccc3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is ZUIRXFRJBPKQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-14-6-7-16(20-19-14)22-11-4-5-15(13-22)17(23)18-8-12-21-9-2-3-10-21/h2-3,6-7,9-10,15H,4-5,8,11-13H2,1H3,(H,18,23).
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 121118673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).