N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

C20H25N5O4S — CID 130204663

IUPACN-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NO)C1=CCN(S(=O)(=O)c2ccc(-c3cnn(C4CCNCC4)c3)cc2)CC1
InChIInChI=1S/C20H25N5O4S/c26-20(23-27)16-7-11-24(12-8-16)30(28,29)19-3-1-15(2-4-19)17-13-22-25(14-17)18-5-9-21-10-6-18/h1-4,7,13-14,18,21,27H,5-6,8-12H2,(H,23,26)
InChIKeyGMMOVKXXOVILIS-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.30
Rot. Bonds5

About N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 130204663) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID130204663
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NO)C1=CCN(S(=O)(=O)c2ccc(-c3cnn(C4CCNCC4)c3)cc2)CC1
InChIInChI=1S/C20H25N5O4S/c26-20(23-27)16-7-11-24(12-8-16)30(28,29)19-3-1-15(2-4-19)17-13-22-25(14-17)18-5-9-21-10-6-18/h1-4,7,13-14,18,21,27H,5-6,8-12H2,(H,23,26)
InChIKeyGMMOVKXXOVILIS-UHFFFAOYSA-N
XLogP1.30
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 130204663) is N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(NO)C1=CCN(S(=O)(=O)c2ccc(-c3cnn(C4CCNCC4)c3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is GMMOVKXXOVILIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c26-20(23-27)16-7-11-24(12-8-16)30(28,29)19-3-1-15(2-4-19)17-13-22-25(14-17)18-5-9-21-10-6-18/h1-4,7,13-14,18,21,27H,5-6,8-12H2,(H,23,26).
What are the key properties of N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 130204663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).