N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide

C22H23N5O5 — CID 121090735

IUPACN-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3ccco3)cc2=O)cc1
InChIInChI=1S/C22H23N5O5/c1-2-19(28)26-16-7-5-15(6-8-16)22(31)24-10-9-23-20(29)13-27-14-25-17(12-21(27)30)18-4-3-11-32-18/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,23,29)(H,24,31)(H,26,28)
InChIKeyYMZWWGXKEPVRKQ-UHFFFAOYSA-N
MW437.46 g/mol
LogP1.40
Rot. Bonds9

About N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide

N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide (PubChem CID 121090735) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
PubChem CID121090735
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC NameN-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3ccco3)cc2=O)cc1
InChIInChI=1S/C22H23N5O5/c1-2-19(28)26-16-7-5-15(6-8-16)22(31)24-10-9-23-20(29)13-27-14-25-17(12-21(27)30)18-4-3-11-32-18/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,23,29)(H,24,31)(H,26,28)
InChIKeyYMZWWGXKEPVRKQ-UHFFFAOYSA-N
XLogP1.40
TPSA135.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetyl]amino]ethyl]benzamide
CID 121090941
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121090748

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide (CID 121090735) is N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2cnc(-c3ccco3)cc2=O)cc1.
What is the InChIKey of N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide?
The InChIKey is YMZWWGXKEPVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-2-19(28)26-16-7-5-15(6-8-16)22(31)24-10-9-23-20(29)13-27-14-25-17(12-21(27)30)18-4-3-11-32-18/h3-8,11-12,14H,2,9-10,13H2,1H3,(H,23,29)(H,24,31)(H,26,28).
What are the key properties of N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide?
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide has a molecular weight of 437.46 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 121090735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).