6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide

C21H19N5O5S — CID 53209564

IUPAC6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C(C)c3ccccc3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C21H19N5O5S/c1-12(14-6-4-3-5-7-14)26-11-24-20-18(21(26)28)17(13(2)31-20)19(27)25-15-8-9-16(23-10-15)32(22,29)30/h3-12H,1-2H3,(H,25,27)(H2,22,29,30)
InChIKeyXSHNZTWKMLGMSB-UHFFFAOYSA-N
MW453.48 g/mol
LogP2.20
Rot. Bonds5

About 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 53209564) has the molecular formula C21H19N5O5S and a molecular weight of 453.48 g/mol. Its IUPAC name is 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID53209564
Molecular FormulaC21H19N5O5S
Molecular Weight453.48 g/mol
Exact Mass453.11
IUPAC Name6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C(C)c3ccccc3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1
InChIInChI=1S/C21H19N5O5S/c1-12(14-6-4-3-5-7-14)26-11-24-20-18(21(26)28)17(13(2)31-20)19(27)25-15-8-9-16(23-10-15)32(22,29)30/h3-12H,1-2H3,(H,25,27)(H2,22,29,30)
InChIKeyXSHNZTWKMLGMSB-UHFFFAOYSA-N
XLogP2.20
TPSA150.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide (CID 53209564) is 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C(C)c3ccccc3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)nc1.
What is the InChIKey of 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is XSHNZTWKMLGMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5S/c1-12(14-6-4-3-5-7-14)26-11-24-20-18(21(26)28)17(13(2)31-20)19(27)25-15-8-9-16(23-10-15)32(22,29)30/h3-12H,1-2H3,(H,25,27)(H2,22,29,30).
What are the key properties of 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 453.48 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-3-(1-phenylethyl)-N-(6-sulfamoyl-3-pyridinyl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 53209564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).