N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C22H22N6O5S — CID 23551913

IUPACN-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2n1
InChIInChI=1S/C22H22N6O5S/c1-14-7-10-18(27-34(31,32)13-15-5-3-2-4-6-15)22(30)28(14)12-19(29)24-11-16-8-9-17-20(23)26-33-21(17)25-16/h2-10,27H,11-13H2,1H3,(H2,23,26)(H,24,29)
InChIKeyGBAXCUMDPJLMAS-UHFFFAOYSA-N
MW482.52 g/mol
LogP1.53
Rot. Bonds8

About N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 23551913) has the molecular formula C22H22N6O5S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID23551913
Molecular FormulaC22H22N6O5S
Molecular Weight482.52 g/mol
Exact Mass482.14
IUPAC NameN-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2n1
InChIInChI=1S/C22H22N6O5S/c1-14-7-10-18(27-34(31,32)13-15-5-3-2-4-6-15)22(30)28(14)12-19(29)24-11-16-8-9-17-20(23)26-33-21(17)25-16/h2-10,27H,11-13H2,1H3,(H2,23,26)(H,24,29)
InChIKeyGBAXCUMDPJLMAS-UHFFFAOYSA-N
XLogP1.53
TPSA162.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 23551913) is N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2n1.
What is the InChIKey of N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is GBAXCUMDPJLMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5S/c1-14-7-10-18(27-34(31,32)13-15-5-3-2-4-6-15)22(30)28(14)12-19(29)24-11-16-8-9-17-20(23)26-33-21(17)25-16/h2-10,27H,11-13H2,1H3,(H2,23,26)(H,24,29).
What are the key properties of N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 482.52 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-[1,2]oxazolo[5,4-b]pyridin-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 23551913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).