2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide

C17H26N8O7 — CID 23557815

IUPAC2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide
SMILESNNC(=O)CCNC(=O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCC(=O)NN
InChIInChI=1S/C17H26N8O7/c18-23-12(27)5-7-20-11(26)2-1-10(17(32)21-8-6-13(28)24-19)22-14(29)9-25-15(30)3-4-16(25)31/h3-4,10H,1-2,5-9,18-19H2,(H,20,26)(H,21,32)(H,22,29)(H,23,27)(H,24,28)
InChIKeyAKYUXFIGRZRJOX-UHFFFAOYSA-N
MW454.44 g/mol
LogP-4.83
Rot. Bonds13

About 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide (PubChem CID 23557815) has the molecular formula C17H26N8O7 and a molecular weight of 454.44 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide
PubChem CID23557815
Molecular FormulaC17H26N8O7
Molecular Weight454.44 g/mol
Exact Mass454.19
IUPAC Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide
SMILESNNC(=O)CCNC(=O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCC(=O)NN
InChIInChI=1S/C17H26N8O7/c18-23-12(27)5-7-20-11(26)2-1-10(17(32)21-8-6-13(28)24-19)22-14(29)9-25-15(30)3-4-16(25)31/h3-4,10H,1-2,5-9,18-19H2,(H,20,26)(H,21,32)(H,22,29)(H,23,27)(H,24,28)
InChIKeyAKYUXFIGRZRJOX-UHFFFAOYSA-N
XLogP-4.83
TPSA234.92 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.44
LogP ≤ 5-4.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide?
The IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide (CID 23557815) is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide is NNC(=O)CCNC(=O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCC(=O)NN.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide?
The InChIKey is AKYUXFIGRZRJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O7/c18-23-12(27)5-7-20-11(26)2-1-10(17(32)21-8-6-13(28)24-19)22-14(29)9-25-15(30)3-4-16(25)31/h3-4,10H,1-2,5-9,18-19H2,(H,20,26)(H,21,32)(H,22,29)(H,23,27)(H,24,28).
What are the key properties of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide?
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide has a molecular weight of 454.44 g/mol, XLogP of -4.83, 13 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis(3-hydrazinyl-3-oxopropyl)pentanediamide is sourced from PubChem (CID 23557815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).