N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide

C21H23N5O5S — CID 59421098

IUPACN-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCO[C@@H]1CN(c2ncc(C(=O)NO)cn2)CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N5O5S/c1-31-19-13-26(21-22-11-16(12-23-21)20(27)24-28)9-8-18(19)25-32(29,30)17-7-6-14-4-2-3-5-15(14)10-17/h2-7,10-12,18-19,25,28H,8-9,13H2,1H3,(H,24,27)/t18-,19+/m0/s1
InChIKeyNRJFROLNSYBAPS-RBUKOAKNSA-N
MW457.51 g/mol
LogP1.32
Rot. Bonds6

About N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 59421098) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID59421098
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC NameN-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
SMILESCO[C@@H]1CN(c2ncc(C(=O)NO)cn2)CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N5O5S/c1-31-19-13-26(21-22-11-16(12-23-21)20(27)24-28)9-8-18(19)25-32(29,30)17-7-6-14-4-2-3-5-15(14)10-17/h2-7,10-12,18-19,25,28H,8-9,13H2,1H3,(H,24,27)/t18-,19+/m0/s1
InChIKeyNRJFROLNSYBAPS-RBUKOAKNSA-N
XLogP1.32
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.32
H-Bond Donors ≤ 53
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-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide (CID 59421098) is N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide is CO[C@@H]1CN(c2ncc(C(=O)NO)cn2)CC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is NRJFROLNSYBAPS-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-31-19-13-26(21-22-11-16(12-23-21)20(27)24-28)9-8-18(19)25-32(29,30)17-7-6-14-4-2-3-5-15(14)10-17/h2-7,10-12,18-19,25,28H,8-9,13H2,1H3,(H,24,27)/t18-,19+/m0/s1.
What are the key properties of N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(3R,4S)-3-methoxy-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 59421098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).