2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide

C16H18N4O2 — CID 20891863

IUPAC2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C16H18N4O2/c1-10(2)18-14(21)9-20-16(22)15-12(8-17-20)11-6-4-5-7-13(11)19(15)3/h4-8,10H,9H2,1-3H3,(H,18,21)
InChIKeyUTXJHBSVRRAFDS-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.41
Rot. Bonds3

About 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide

2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide (PubChem CID 20891863) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
PubChem CID20891863
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C16H18N4O2/c1-10(2)18-14(21)9-20-16(22)15-12(8-17-20)11-6-4-5-7-13(11)19(15)3/h4-8,10H,9H2,1-3H3,(H,18,21)
InChIKeyUTXJHBSVRRAFDS-UHFFFAOYSA-N
XLogP1.41
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 20891897
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 20891885
N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892227
N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 95059156
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acetamide
CID 20891901
5-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one
CID 20891834
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid
CID 53212538
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20892242
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one
CID 90936622
2-(4,7-dimethyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 46959160

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide (CID 20891863) is 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1ncc2c3ccccc3n(C)c2c1=O.
What is the InChIKey of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide?
The InChIKey is UTXJHBSVRRAFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)18-14(21)9-20-16(22)15-12(8-17-20)11-6-4-5-7-13(11)19(15)3/h4-8,10H,9H2,1-3H3,(H,18,21).
What are the key properties of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide?
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide has a molecular weight of 298.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 20891863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).