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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Related Compounds

N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
N,N-dimethyl-5-[[[(4S)-4-pyrrolidin-1-ylpentanoyl]amino]methyl]furan-2-carboxamide
CID 125166646
5-[[3-(3,5-dimethylphenyl)propanoylamino]methyl]-N-methylfuran-2-carboxamide
CID 50949888
N-[(4-fluoro-2-methoxyphenyl)methyl]-4-pyrrolidin-1-ylpentanamide;formic acid
CID 154905412
(4R)-N-(3H-benzimidazol-5-ylmethyl)-4-pyrrolidin-1-ylpentanamide
CID 126453026
5-methyl-N-(2-pyrrolidin-1-ylpropyl)furan-2-carboxamide
CID 47031083
5-[(3-propan-2-yloxypropanoylamino)methyl]furan-2-carboxylic acid
CID 119245773
(4S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-morpholin-4-ylpentanamide
CID 124753245
5-[[[2-[methyl(2-morpholin-4-ylpropyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 134706242
(4R)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 126435440
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 136607695

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).