N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide

C20H25N3O5S — CID 90624928

IUPACN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(O)Cn1ccccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O5S/c24-17(15-22-11-5-2-6-19(22)25)14-21-20(26)16-7-9-18(10-8-16)29(27,28)23-12-3-1-4-13-23/h2,5-11,17,24H,1,3-4,12-15H2,(H,21,26)
InChIKeyZRKVBPRASSZLGC-UHFFFAOYSA-N
MW419.50 g/mol
LogP0.81
Rot. Bonds7

About N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 90624928) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID90624928
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC(O)Cn1ccccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O5S/c24-17(15-22-11-5-2-6-19(22)25)14-21-20(26)16-7-9-18(10-8-16)29(27,28)23-12-3-1-4-13-23/h2,5-11,17,24H,1,3-4,12-15H2,(H,21,26)
InChIKeyZRKVBPRASSZLGC-UHFFFAOYSA-N
XLogP0.81
TPSA108.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90624929
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-piperidin-1-ylsulfonylphenyl)ethylideneamino]acetamide
CID 8883829
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-[2-(diethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46432914
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8794925
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
2-cyclohexyl-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 90624833
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide (CID 90624928) is N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(NCC(O)Cn1ccccc1=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZRKVBPRASSZLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c24-17(15-22-11-5-2-6-19(22)25)14-21-20(26)16-7-9-18(10-8-16)29(27,28)23-12-3-1-4-13-23/h2,5-11,17,24H,1,3-4,12-15H2,(H,21,26).
What are the key properties of N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 90624928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).