N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide

C23H27N5O5S — CID 59421037

IUPACN-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCOCCN(C1CCN(c2ncc(C(=O)NO)cn2)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H27N5O5S/c1-33-13-12-28(34(31,32)21-7-6-17-4-2-3-5-18(17)14-21)20-8-10-27(11-9-20)23-24-15-19(16-25-23)22(29)26-30/h2-7,14-16,20,30H,8-13H2,1H3,(H,26,29)
InChIKeyXXSWRPGHLZTIPW-UHFFFAOYSA-N
MW485.57 g/mol
LogP2.05
Rot. Bonds8

About N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 59421037) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID59421037
Molecular FormulaC23H27N5O5S
Molecular Weight485.57 g/mol
Exact Mass485.17
IUPAC NameN-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCOCCN(C1CCN(c2ncc(C(=O)NO)cn2)CC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H27N5O5S/c1-33-13-12-28(34(31,32)21-7-6-17-4-2-3-5-18(17)14-21)20-8-10-27(11-9-20)23-24-15-19(16-25-23)22(29)26-30/h2-7,14-16,20,30H,8-13H2,1H3,(H,26,29)
InChIKeyXXSWRPGHLZTIPW-UHFFFAOYSA-N
XLogP2.05
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide (CID 59421037) is N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide is COCCN(C1CCN(c2ncc(C(=O)NO)cn2)CC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is XXSWRPGHLZTIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c1-33-13-12-28(34(31,32)21-7-6-17-4-2-3-5-18(17)14-21)20-8-10-27(11-9-20)23-24-15-19(16-25-23)22(29)26-30/h2-7,14-16,20,30H,8-13H2,1H3,(H,26,29).
What are the key properties of N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 485.57 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[2-methoxyethyl(naphthalen-2-ylsulfonyl)amino]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59421037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).