4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide

C18H25N5O3S — CID 134368515

IUPAC4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCn1cccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccnnc2)CC1
InChIInChI=1S/C18H25N5O3S/c1-18(2,27(25,26)16-5-4-10-22(16)3)14-7-11-23(12-8-14)17(24)21-15-6-9-19-20-13-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,19,21,24)
InChIKeyCHJQVVOKLFTOPX-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.31
Rot. Bonds4

About 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 134368515) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID134368515
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCn1cccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccnnc2)CC1
InChIInChI=1S/C18H25N5O3S/c1-18(2,27(25,26)16-5-4-10-22(16)3)14-7-11-23(12-8-14)17(24)21-15-6-9-19-20-13-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,19,21,24)
InChIKeyCHJQVVOKLFTOPX-UHFFFAOYSA-N
XLogP2.31
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[difluoro-(1-methylindazol-4-yl)sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430260
4-[difluoro-[2-(hydroxymethyl)phenyl]sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424240
4-[1-fluoro-1-[4-(trifluoromethyl)phenyl]sulfinylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127367
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424247
4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 122430388
4-[1-(2-cyanophenyl)sulfinyl-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127394
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 160806713
4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122430426
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430517
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 157096892
4-[difluoro-(2-pyrazol-1-ylphenyl)sulfinylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 145127379

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 134368515) is 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide is Cn1cccc1S(=O)(=O)C(C)(C)C1CCN(C(=O)Nc2ccnnc2)CC1.
What is the InChIKey of 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is CHJQVVOKLFTOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-18(2,27(25,26)16-5-4-10-22(16)3)14-7-11-23(12-8-14)17(24)21-15-6-9-19-20-13-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,19,21,24).
What are the key properties of 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 134368515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).