N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C21H19N5O6S — CID 10116042

IUPACN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3onc(C)c23)cc1
InChIInChI=1S/C21H19N5O6S/c1-13-18-19(17(20(27)24-28)11-23-21(18)32-25-13)26(12-14-4-3-9-22-10-14)33(29,30)16-7-5-15(31-2)6-8-16/h3-11,28H,12H2,1-2H3,(H,24,27)
InChIKeyZZVSRSRVYMQUCW-UHFFFAOYSA-N
MW469.48 g/mol
LogP2.45
Rot. Bonds7

About N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 10116042) has the molecular formula C21H19N5O6S and a molecular weight of 469.48 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID10116042
Molecular FormulaC21H19N5O6S
Molecular Weight469.48 g/mol
Exact Mass469.11
IUPAC NameN-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3onc(C)c23)cc1
InChIInChI=1S/C21H19N5O6S/c1-13-18-19(17(20(27)24-28)11-23-21(18)32-25-13)26(12-14-4-3-9-22-10-14)33(29,30)16-7-5-15(31-2)6-8-16/h3-11,28H,12H2,1-2H3,(H,24,27)
InChIKeyZZVSRSRVYMQUCW-UHFFFAOYSA-N
XLogP2.45
TPSA147.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 10116042) is N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)c2c(C(=O)NO)cnc3onc(C)c23)cc1.
What is the InChIKey of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZZVSRSRVYMQUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6S/c1-13-18-19(17(20(27)24-28)11-23-21(18)32-25-13)26(12-14-4-3-9-22-10-14)33(29,30)16-7-5-15(31-2)6-8-16/h3-11,28H,12H2,1-2H3,(H,24,27).
What are the key properties of N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 469.48 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10116042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).