6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide

C20H17N5O5S — CID 71035495

IUPAC6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(Cc3ccccn3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H17N5O5S/c1-12-16(18(26)24-13-5-7-15(8-6-13)31(21,28)29)17-19(30-12)23-11-25(20(17)27)10-14-4-2-3-9-22-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,21,28,29)
InChIKeyWOOSNKVXMLJFIX-UHFFFAOYSA-N
MW439.45 g/mol
LogP1.64
Rot. Bonds5

About 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide

6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 71035495) has the molecular formula C20H17N5O5S and a molecular weight of 439.45 g/mol. Its IUPAC name is 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
PubChem CID71035495
Molecular FormulaC20H17N5O5S
Molecular Weight439.45 g/mol
Exact Mass439.10
IUPAC Name6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(Cc3ccccn3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H17N5O5S/c1-12-16(18(26)24-13-5-7-15(8-6-13)31(21,28)29)17-19(30-12)23-11-25(20(17)27)10-14-4-2-3-9-22-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,21,28,29)
InChIKeyWOOSNKVXMLJFIX-UHFFFAOYSA-N
XLogP1.64
TPSA150.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 51.64
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-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide (CID 71035495) is 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(Cc3ccccn3)c(=O)c2c1C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is WOOSNKVXMLJFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O5S/c1-12-16(18(26)24-13-5-7-15(8-6-13)31(21,28)29)17-19(30-12)23-11-25(20(17)27)10-14-4-2-3-9-22-14/h2-9,11H,10H2,1H3,(H,24,26)(H2,21,28,29).
What are the key properties of 6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide?
6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 1.64, 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-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 71035495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).