N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide

C21H23N5O4S — CID 10151396

IUPACN-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H23N5O4S/c27-20(25-28)18-13-23-21(24-14-18)22-12-15-7-9-26(10-8-15)31(29,30)19-6-5-16-3-1-2-4-17(16)11-19/h1-6,11,13-15,28H,7-10,12H2,(H,25,27)(H,22,23,24)
InChIKeyUSIAVLLAVBJJBB-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.26
Rot. Bonds6

About N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide

N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide (PubChem CID 10151396) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide
PubChem CID10151396
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC NameN-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C21H23N5O4S/c27-20(25-28)18-13-23-21(24-14-18)22-12-15-7-9-26(10-8-15)31(29,30)19-6-5-16-3-1-2-4-17(16)11-19/h1-6,11,13-15,28H,7-10,12H2,(H,25,27)(H,22,23,24)
InChIKeyUSIAVLLAVBJJBB-UHFFFAOYSA-N
XLogP2.26
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.26
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-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide (CID 10151396) is N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is USIAVLLAVBJJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c27-20(25-28)18-13-23-21(24-14-18)22-12-15-7-9-26(10-8-15)31(29,30)19-6-5-16-3-1-2-4-17(16)11-19/h1-6,11,13-15,28H,7-10,12H2,(H,25,27)(H,22,23,24).
What are the key properties of N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 10151396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).