N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C22H24N4O3 — CID 135410413

IUPACN-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCC(C)CCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C22H24N4O3/c1-15(2)9-10-25(13-16-6-5-11-29-16)20(27)14-26-22(28)21-18(12-23-26)17-7-3-4-8-19(17)24-21/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3
InChIKeyJEXOXLNAQNBMDC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.55
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135410413) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135410413
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCC(C)CCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
InChIInChI=1S/C22H24N4O3/c1-15(2)9-10-25(13-16-6-5-11-29-16)20(27)14-26-22(28)21-18(12-23-26)17-7-3-4-8-19(17)24-21/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3
InChIKeyJEXOXLNAQNBMDC-UHFFFAOYSA-N
XLogP3.55
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)ethan-1-amine hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135410413) is N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is CC(C)CCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is JEXOXLNAQNBMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)9-10-25(13-16-6-5-11-29-16)20(27)14-26-22(28)21-18(12-23-26)17-7-3-4-8-19(17)24-21/h3-8,11-12,15,24H,9-10,13-14H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135410413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).