N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide

C18H18N2O3S — CID 146140088

IUPACN-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(NC(c1cccs1)C1(CO)CCC1)c1cc2ncccc2o1
InChIInChI=1S/C18H18N2O3S/c21-11-18(6-3-7-18)16(15-5-2-9-24-15)20-17(22)14-10-12-13(23-14)4-1-8-19-12/h1-2,4-5,8-10,16,21H,3,6-7,11H2,(H,20,22)
InChIKeyCSMYCPJBEGOOMV-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.52
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide

N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 146140088) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide
PubChem CID146140088
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(NC(c1cccs1)C1(CO)CCC1)c1cc2ncccc2o1
InChIInChI=1S/C18H18N2O3S/c21-11-18(6-3-7-18)16(15-5-2-9-24-15)20-17(22)14-10-12-13(23-14)4-1-8-19-12/h1-2,4-5,8-10,16,21H,3,6-7,11H2,(H,20,22)
InChIKeyCSMYCPJBEGOOMV-UHFFFAOYSA-N
XLogP3.52
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide (CID 146140088) is N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide is O=C(NC(c1cccs1)C1(CO)CCC1)c1cc2ncccc2o1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is CSMYCPJBEGOOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-11-18(6-3-7-18)16(15-5-2-9-24-15)20-17(22)14-10-12-13(23-14)4-1-8-19-12/h1-2,4-5,8-10,16,21H,3,6-7,11H2,(H,20,22).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide?
N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 146140088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).