formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide

C17H27N3O5 — CID 154905765

IUPACformic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CCC(C)N2CCCC2)o1.O=CO
InChIInChI=1S/C16H25N3O3.CH2O2/c1-12(19-9-3-4-10-19)5-8-15(20)18-11-13-6-7-14(22-13)16(21)17-2;2-1-3/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,21)(H,18,20);1H,(H,2,3)
InChIKeyAYJDXXHRWLZZNT-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.22
Rot. Bonds7

About formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide

formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide (PubChem CID 154905765) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide.

Molecular Properties

Compound Nameformic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
PubChem CID154905765
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Nameformic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CCC(C)N2CCCC2)o1.O=CO
InChIInChI=1S/C16H25N3O3.CH2O2/c1-12(19-9-3-4-10-19)5-8-15(20)18-11-13-6-7-14(22-13)16(21)17-2;2-1-3/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,21)(H,18,20);1H,(H,2,3)
InChIKeyAYJDXXHRWLZZNT-UHFFFAOYSA-N
XLogP1.22
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide?
The IUPAC name of formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide (CID 154905765) is formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide.
What is the SMILES notation for formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide?
The canonical SMILES for formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide is CNC(=O)c1ccc(CNC(=O)CCC(C)N2CCCC2)o1.O=CO.
What is the InChIKey of formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide?
The InChIKey is AYJDXXHRWLZZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3.CH2O2/c1-12(19-9-3-4-10-19)5-8-15(20)18-11-13-6-7-14(22-13)16(21)17-2;2-1-3/h6-7,12H,3-5,8-11H2,1-2H3,(H,17,21)(H,18,20);1H,(H,2,3).
What are the key properties of formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide?
formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-methyl-5-[(4-pyrrolidin-1-ylpentanoylamino)methyl]furan-2-carboxamide is sourced from PubChem (CID 154905765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).