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

C19H26N8O7 — CID 23557816

IUPAC2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide
SMILESC=NNC(=O)CCNC(=O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCC(=O)NN=C
InChIInChI=1S/C19H26N8O7/c1-20-25-14(29)7-9-22-13(28)4-3-12(19(34)23-10-8-15(30)26-21-2)24-16(31)11-27-17(32)5-6-18(27)33/h5-6,12H,1-4,7-11H2,(H,22,28)(H,23,34)(H,24,31)(H,25,29)(H,26,30)
InChIKeyIUWKLUFTADQQEH-UHFFFAOYSA-N
MW478.47 g/mol
LogP-3.35
Rot. Bonds15

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

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide (PubChem CID 23557816) has the molecular formula C19H26N8O7 and a molecular weight of 478.47 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide
PubChem CID23557816
Molecular FormulaC19H26N8O7
Molecular Weight478.47 g/mol
Exact Mass478.19
IUPAC Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide
SMILESC=NNC(=O)CCNC(=O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCC(=O)NN=C
InChIInChI=1S/C19H26N8O7/c1-20-25-14(29)7-9-22-13(28)4-3-12(19(34)23-10-8-15(30)26-21-2)24-16(31)11-27-17(32)5-6-18(27)33/h5-6,12H,1-4,7-11H2,(H,22,28)(H,23,34)(H,24,31)(H,25,29)(H,26,30)
InChIKeyIUWKLUFTADQQEH-UHFFFAOYSA-N
XLogP-3.35
TPSA207.60 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 5-3.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide?
The IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide (CID 23557816) is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide is C=NNC(=O)CCNC(=O)CCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCC(=O)NN=C.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide?
The InChIKey is IUWKLUFTADQQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O7/c1-20-25-14(29)7-9-22-13(28)4-3-12(19(34)23-10-8-15(30)26-21-2)24-16(31)11-27-17(32)5-6-18(27)33/h5-6,12H,1-4,7-11H2,(H,22,28)(H,23,34)(H,24,31)(H,25,29)(H,26,30).
What are the key properties of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide?
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,N'-bis[3-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide has a molecular weight of 478.47 g/mol, XLogP of -3.35, 15 rotatable bonds, 5 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-(2-methylidenehydrazinyl)-3-oxopropyl]pentanediamide is sourced from PubChem (CID 23557816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).