N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

C21H20N4O2 — CID 135833636

IUPACN-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1ccc(C)c(N(C)C(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)c1
InChIInChI=1S/C21H20N4O2/c1-13-8-9-14(2)18(10-13)24(3)19(26)12-25-21(27)20-16(11-22-25)15-6-4-5-7-17(15)23-20/h4-11,23H,12H2,1-3H3
InChIKeyCBNFPERTNAAVQO-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.16
Rot. Bonds3

About N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide

N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (PubChem CID 135833636) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
PubChem CID135833636
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
SMILESCc1ccc(C)c(N(C)C(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)c1
InChIInChI=1S/C21H20N4O2/c1-13-8-9-14(2)18(10-13)24(3)19(26)12-25-21(27)20-16(11-22-25)15-6-4-5-7-17(15)23-20/h4-11,23H,12H2,1-3H3
InChIKeyCBNFPERTNAAVQO-UHFFFAOYSA-N
XLogP3.16
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833634
N-ethyl-N-(2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833637
N-(4-bromo-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833515
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 135410471
N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550947
N-(2,5-dimethylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875830
3-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 136914669
N-(2-bromo-4-methylphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550937
N-(3-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833575
N-(2-ethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550982
N-(4-acetylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833566
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide (CID 135833636) is N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is Cc1ccc(C)c(N(C)C(=O)Cn2ncc3c([nH]c4ccccc43)c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
The InChIKey is CBNFPERTNAAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-8-9-14(2)18(10-13)24(3)19(26)12-25-21(27)20-16(11-22-25)15-6-4-5-7-17(15)23-20/h4-11,23H,12H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide?
N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-methyl-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide is sourced from PubChem (CID 135833636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).