N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide

C19H16N4O — CID 101072823

IUPACN-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3c4ccccc4n(C)c3nn2)c1
InChIInChI=1S/C19H16N4O/c1-12(24)20-14-7-5-6-13(10-14)17-11-16-15-8-3-4-9-18(15)23(2)19(16)22-21-17/h3-11H,1-2H3,(H,20,24)
InChIKeyVXRVBEGRQYEFTQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.75
Rot. Bonds2

About N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide

N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide (PubChem CID 101072823) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide
PubChem CID101072823
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cc3c4ccccc4n(C)c3nn2)c1
InChIInChI=1S/C19H16N4O/c1-12(24)20-14-7-5-6-13(10-14)17-11-16-15-8-3-4-9-18(15)23(2)19(16)22-21-17/h3-11H,1-2H3,(H,20,24)
InChIKeyVXRVBEGRQYEFTQ-UHFFFAOYSA-N
XLogP3.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide 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

N-(3-acetamidophenyl)-1,2-dimethylindole-3-carboxamide
CID 110762600
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide
CID 166357923
N-(3-pyrazolo[1,5-a]pyridin-3-ylphenyl)acetamide
CID 66592668
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
N-(3-acetamidophenyl)-3-(4-oxocinnolin-1-yl)propanamide
CID 51254626
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
N-[3-(1-methyltriazol-4-yl)phenyl]prop-2-enamide
CID 139018846
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide?
The IUPAC name of N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide (CID 101072823) is N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cc3c4ccccc4n(C)c3nn2)c1.
What is the InChIKey of N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide?
The InChIKey is VXRVBEGRQYEFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-12(24)20-14-7-5-6-13(10-14)17-11-16-15-8-3-4-9-18(15)23(2)19(16)22-21-17/h3-11H,1-2H3,(H,20,24).
What are the key properties of N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide?
N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-methylpyridazino[3,4-b]indol-3-yl)phenyl]acetamide is sourced from PubChem (CID 101072823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).