N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

C19H15N5O4S — CID 71727933

IUPACN-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNc1ncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C19H15N5O4S/c20-19-23-9-15(10-24-19)29(26,27)14-3-1-12(2-4-14)8-22-18(25)16-7-13-5-6-21-11-17(13)28-16/h1-7,9-11H,8H2,(H,22,25)(H2,20,23,24)
InChIKeyMCWWIWVHOBABGT-UHFFFAOYSA-N
MW409.43 g/mol
LogP1.96
Rot. Bonds5

About N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71727933) has the molecular formula C19H15N5O4S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
PubChem CID71727933
Molecular FormulaC19H15N5O4S
Molecular Weight409.43 g/mol
Exact Mass409.08
IUPAC NameN-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
SMILESNc1ncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1
InChIInChI=1S/C19H15N5O4S/c20-19-23-9-15(10-24-19)29(26,27)14-3-1-12(2-4-14)8-22-18(25)16-7-13-5-6-21-11-17(13)28-16/h1-7,9-11H,8H2,(H,22,25)(H2,20,23,24)
InChIKeyMCWWIWVHOBABGT-UHFFFAOYSA-N
XLogP1.96
TPSA141.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71727933) is N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is Nc1ncc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)cn1.
What is the InChIKey of N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MCWWIWVHOBABGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O4S/c20-19-23-9-15(10-24-19)29(26,27)14-3-1-12(2-4-14)8-22-18(25)16-7-13-5-6-21-11-17(13)28-16/h1-7,9-11H,8H2,(H,22,25)(H2,20,23,24).
What are the key properties of N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide?
N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminopyrimidin-5-yl)sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71727933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).