N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide

C20H24N4O2 — CID 98766541

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C20H24N4O2/c1-12-6-5-8-16(13(12)2)22-18(25)11-24-17-9-4-3-7-14(17)15-10-21-23-20(26)19(15)24/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,22,25)(H,23,26)/t12-,13+,16+/m1/s1
InChIKeyWFSJGBDZEUNQGR-WWGRRREGSA-N
MW352.44 g/mol
LogP2.82
Rot. Bonds3

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide (PubChem CID 98766541) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
PubChem CID98766541
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C20H24N4O2/c1-12-6-5-8-16(13(12)2)22-18(25)11-24-17-9-4-3-7-14(17)15-10-21-23-20(26)19(15)24/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,22,25)(H,23,26)/t12-,13+,16+/m1/s1
InChIKeyWFSJGBDZEUNQGR-WWGRRREGSA-N
XLogP2.82
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide with MolForge

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(9-oxoacridin-10-yl)acetamide
CID 98750987
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408
N-(2,3-dimethylcyclohexyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4101198
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 92668590
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 11897735
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(2-methylindol-1-yl)acetamide
CID 7328535
5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3H-pyridazino[4,5-b]indol-4-one
CID 92668689
N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207412
N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043934
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 11918031
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054967

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide (CID 98766541) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)Cn1c2ccccc2c2cn[nH]c(=O)c21.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
The InChIKey is WFSJGBDZEUNQGR-WWGRRREGSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-6-5-8-16(13(12)2)22-18(25)11-24-17-9-4-3-7-14(17)15-10-21-23-20(26)19(15)24/h3-4,7,9-10,12-13,16H,5-6,8,11H2,1-2H3,(H,22,25)(H,23,26)/t12-,13+,16+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide is sourced from PubChem (CID 98766541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).