N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C16H23N3O3 — CID 131897507

IUPACN-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C16H23N3O3/c20-15-13(5-1-2-8-17-15)18-16(21)14-7-6-12(22-14)11-19-9-3-4-10-19/h6-7,13H,1-5,8-11H2,(H,17,20)(H,18,21)
InChIKeyGNZGTDFJYHSULG-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds4

About N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131897507) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131897507
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C16H23N3O3/c20-15-13(5-1-2-8-17-15)18-16(21)14-7-6-12(22-14)11-19-9-3-4-10-19/h6-7,13H,1-5,8-11H2,(H,17,20)(H,18,21)
InChIKeyGNZGTDFJYHSULG-UHFFFAOYSA-N
XLogP1.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131897507) is N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is O=C(NC1CCCCNC1=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is GNZGTDFJYHSULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15-13(5-1-2-8-17-15)18-16(21)14-7-6-12(22-14)11-19-9-3-4-10-19/h6-7,13H,1-5,8-11H2,(H,17,20)(H,18,21).
What are the key properties of N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131897507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).