1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide

C14H22N4O2 — CID 91909551

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-3-11(4-2)16-14(20)10-5-6-18(9-10)12-7-13(19)17-15-8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyCSAQUBPZPDNLEU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.90
Rot. Bonds5

About 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 91909551) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID91909551
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C14H22N4O2/c1-3-11(4-2)16-14(20)10-5-6-18(9-10)12-7-13(19)17-15-8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyCSAQUBPZPDNLEU-UHFFFAOYSA-N
XLogP0.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide (CID 91909551) is 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)NC(=O)C1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is CSAQUBPZPDNLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-11(4-2)16-14(20)10-5-6-18(9-10)12-7-13(19)17-15-8-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91909551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).