N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

C21H21N5O — CID 72938319

IUPACN-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCCn1nc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c2ccccc21
InChIInChI=1S/C21H21N5O/c1-4-26-20-8-6-5-7-16(20)19(25-26)12-22-21(27)15-9-10-17-18(11-15)24-14(3)13(2)23-17/h5-11H,4,12H2,1-3H3,(H,22,27)
InChIKeyXWKKWTMBZIXXDZ-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.55
Rot. Bonds4

About N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide

N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 72938319) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID72938319
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCCn1nc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c2ccccc21
InChIInChI=1S/C21H21N5O/c1-4-26-20-8-6-5-7-16(20)19(25-26)12-22-21(27)15-9-10-17-18(11-15)24-14(3)13(2)23-17/h5-11H,4,12H2,1-3H3,(H,22,27)
InChIKeyXWKKWTMBZIXXDZ-UHFFFAOYSA-N
XLogP3.55
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783
N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
CID 53163992
3-methyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
CID 53164094
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
N-[(4-fluorophenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4253499
N-[(1-ethylindazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91841182
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-(3-indol-1-ylpropyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55437340
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
3,5-dimethyl-N-[(1-propan-2-ylindazol-3-yl)methyl]benzamide
CID 53164087
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide (CID 72938319) is N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is CCn1nc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is XWKKWTMBZIXXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-4-26-20-8-6-5-7-16(20)19(25-26)12-22-21(27)15-9-10-17-18(11-15)24-14(3)13(2)23-17/h5-11H,4,12H2,1-3H3,(H,22,27).
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 72938319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).