2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide

C17H20N4O2 — CID 56685897

IUPAC2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)n1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C17H20N4O2/c1-4-13(16(22)19-10(2)3)21-14-8-6-5-7-11(14)12-9-18-20-17(23)15(12)21/h5-10,13H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQLCMZUDEQNGVGB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.35
Rot. Bonds4

About 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide

2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide (PubChem CID 56685897) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide
PubChem CID56685897
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide
SMILESCCC(C(=O)NC(C)C)n1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C17H20N4O2/c1-4-13(16(22)19-10(2)3)21-14-8-6-5-7-11(14)12-9-18-20-17(23)15(12)21/h5-10,13H,4H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyQLCMZUDEQNGVGB-UHFFFAOYSA-N
XLogP2.35
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide (CID 56685897) is 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide is CCC(C(=O)NC(C)C)n1c2ccccc2c2cn[nH]c(=O)c21.
What is the InChIKey of 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide?
The InChIKey is QLCMZUDEQNGVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-13(16(22)19-10(2)3)21-14-8-6-5-7-11(14)12-9-18-20-17(23)15(12)21/h5-10,13H,4H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide?
2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide has a molecular weight of 312.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 56685897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).