N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide

C24H26N6O4 — CID 121101308

IUPACN-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)cc1
InChIInChI=1S/C24H26N6O4/c1-3-21(31)28-19-6-4-18(5-7-19)24(34)27-15-14-26-23(33)16(2)30-22(32)9-8-20(29-30)17-10-12-25-13-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,26,33)(H,27,34)(H,28,31)
InChIKeyORXZIPPZQLAIGX-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.76
Rot. Bonds9

About N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide

N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide (PubChem CID 121101308) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
PubChem CID121101308
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC NameN-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)cc1
InChIInChI=1S/C24H26N6O4/c1-3-21(31)28-19-6-4-18(5-7-19)24(34)27-15-14-26-23(33)16(2)30-22(32)9-8-20(29-30)17-10-12-25-13-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,26,33)(H,27,34)(H,28,31)
InChIKeyORXZIPPZQLAIGX-UHFFFAOYSA-N
XLogP1.76
TPSA135.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide (CID 121101308) is N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCNC(=O)C(C)n2nc(-c3ccncc3)ccc2=O)cc1.
What is the InChIKey of N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide?
The InChIKey is ORXZIPPZQLAIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-3-21(31)28-19-6-4-18(5-7-19)24(34)27-15-14-26-23(33)16(2)30-22(32)9-8-20(29-30)17-10-12-25-13-11-17/h4-13,16H,3,14-15H2,1-2H3,(H,26,33)(H,27,34)(H,28,31).
What are the key properties of N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide?
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide has a molecular weight of 462.51 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 121101308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).