N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide

C41H44N10O9S2 — CID 159346140

IUPACN-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1
InChIInChI=1S/C21H23N5O4S.C20H21N5O5S/c27-20(25-28)18-12-23-21(24-13-18)22-11-15-4-3-9-26(14-15)31(29,30)19-8-7-16-5-1-2-6-17(16)10-19;26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-2,5-8,10,12-13,15,28H,3-4,9,11,14H2,(H,25,27)(H,22,23,24);1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23)
InChIKeyLGTDZDDTFLKGSB-UHFFFAOYSA-N
MW885.00 g/mol
LogP3.51
Rot. Bonds12

About N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide

N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide (PubChem CID 159346140) has the molecular formula C41H44N10O9S2 and a molecular weight of 885.00 g/mol. Its IUPAC name is N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide
PubChem CID159346140
Molecular FormulaC41H44N10O9S2
Molecular Weight885.00 g/mol
Exact Mass884.27
IUPAC NameN-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1
InChIInChI=1S/C21H23N5O4S.C20H21N5O5S/c27-20(25-28)18-12-23-21(24-13-18)22-11-15-4-3-9-26(14-15)31(29,30)19-8-7-16-5-1-2-6-17(16)10-19;26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-2,5-8,10,12-13,15,28H,3-4,9,11,14H2,(H,25,27)(H,22,23,24);1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23)
InChIKeyLGTDZDDTFLKGSB-UHFFFAOYSA-N
XLogP3.51
TPSA258.27 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.00
LogP ≤ 53.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

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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Related Compounds

N-hydroxy-2-[(1R,5S)-6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
CID 49855593
N-hydroxy-2-[2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 9847493
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10127592
N-hydroxy-2-[4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 10151170
N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]pyrimidine-5-carboxamide
CID 10151396
N-hydroxy-2-[4-[(naphthalen-2-ylsulfonylamino)methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 10151397
N-hydroxy-2-[4-[3-(naphthalen-2-ylsulfonylamino)propyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10151880
N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide
CID 10173631
N-hydroxy-2-[3-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide
CID 10194733
N-hydroxy-2-[(2S)-2-[[(4-phenylphenyl)sulfonylamino]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 10195453
N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)amino]pyrimidine-5-carboxamide
CID 10216605
N-hydroxy-2-[4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 10217742

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide (CID 159346140) is N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide is O=C(NO)c1cnc(NCC2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)nc1.O=C(NO)c1cnc(NCC2CN(S(=O)(=O)c3ccc4ccccc4c3)CCO2)nc1.
What is the InChIKey of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LGTDZDDTFLKGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S.C20H21N5O5S/c27-20(25-28)18-12-23-21(24-13-18)22-11-15-4-3-9-26(14-15)31(29,30)19-8-7-16-5-1-2-6-17(16)10-19;26-19(24-27)16-10-21-20(22-11-16)23-12-17-13-25(7-8-30-17)31(28,29)18-6-5-14-3-1-2-4-15(14)9-18/h1-2,5-8,10,12-13,15,28H,3-4,9,11,14H2,(H,25,27)(H,22,23,24);1-6,9-11,17,27H,7-8,12-13H2,(H,24,26)(H,21,22,23).
What are the key properties of N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide?
N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 885.00 g/mol, XLogP of 3.51, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-naphthalen-2-ylsulfonylmorpholin-2-yl)methylamino]pyrimidine-5-carboxamide;N-hydroxy-2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 159346140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).