1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

C20H31N5O3 — CID 53202145

IUPAC1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1=O
InChIInChI=1S/C20H31N5O3/c1-2-9-25-19(27)14-17(15-22-25)23-12-6-16(7-13-23)20(28)21-8-4-11-24-10-3-5-18(24)26/h14-16H,2-13H2,1H3,(H,21,28)
InChIKeyAXOQTOJAKZUINK-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.00
Rot. Bonds8

About 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 53202145) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID53202145
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1=O
InChIInChI=1S/C20H31N5O3/c1-2-9-25-19(27)14-17(15-22-25)23-12-6-16(7-13-23)20(28)21-8-4-11-24-10-3-5-18(24)26/h14-16H,2-13H2,1H3,(H,21,28)
InChIKeyAXOQTOJAKZUINK-UHFFFAOYSA-N
XLogP1.00
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide (CID 53202145) is 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1=O.
What is the InChIKey of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is AXOQTOJAKZUINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-2-9-25-19(27)14-17(15-22-25)23-12-6-16(7-13-23)20(28)21-8-4-11-24-10-3-5-18(24)26/h14-16H,2-13H2,1H3,(H,21,28).
What are the key properties of 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide?
1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1-propylpyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 53202145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).