1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C15H17N5O2 — CID 91909552

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H17N5O2/c21-14-6-13(9-18-19-14)20-5-3-12(10-20)15(22)17-8-11-2-1-4-16-7-11/h1-2,4,6-7,9,12H,3,5,8,10H2,(H,17,22)(H,19,21)
InChIKeyGOFHUMJIFQMITA-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.31
Rot. Bonds4

About 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 91909552) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID91909552
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H17N5O2/c21-14-6-13(9-18-19-14)20-5-3-12(10-20)15(22)17-8-11-2-1-4-16-7-11/h1-2,4,6-7,9,12H,3,5,8,10H2,(H,17,22)(H,19,21)
InChIKeyGOFHUMJIFQMITA-UHFFFAOYSA-N
XLogP0.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 91909552) is 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccnc1)C1CCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is GOFHUMJIFQMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14-6-13(9-18-19-14)20-5-3-12(10-20)15(22)17-8-11-2-1-4-16-7-11/h1-2,4,6-7,9,12H,3,5,8,10H2,(H,17,22)(H,19,21).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).