6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide

C13H18N4O3 — CID 62896815

IUPAC6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCC(=O)NC2)ccc1=O
InChIInChI=1S/C13H18N4O3/c1-2-7-17-12(19)6-4-10(16-17)13(20)15-9-3-5-11(18)14-8-9/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,18)(H,15,20)
InChIKeyYXPGSHGPNSRUKJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.34
Rot. Bonds4

About 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide

6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide (PubChem CID 62896815) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide
PubChem CID62896815
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2CCC(=O)NC2)ccc1=O
InChIInChI=1S/C13H18N4O3/c1-2-7-17-12(19)6-4-10(16-17)13(20)15-9-3-5-11(18)14-8-9/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,18)(H,15,20)
InChIKeyYXPGSHGPNSRUKJ-UHFFFAOYSA-N
XLogP-0.34
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide (CID 62896815) is 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC2CCC(=O)NC2)ccc1=O.
What is the InChIKey of 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide?
The InChIKey is YXPGSHGPNSRUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-7-17-12(19)6-4-10(16-17)13(20)15-9-3-5-11(18)14-8-9/h4,6,9H,2-3,5,7-8H2,1H3,(H,14,18)(H,15,20).
What are the key properties of 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide?
6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(6-oxopiperidin-3-yl)-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 62896815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).