N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide

C20H21N5O2 — CID 126934572

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C20H21N5O2/c1-13-6-11-19(26)25(24-13)15-9-7-14(8-10-15)22-20(27)18-12-21-16-4-2-3-5-17(16)23-18/h2-6,11-12,14-15H,7-10H2,1H3,(H,22,27)
InChIKeyOIXKEUNQHVGJBU-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.41
Rot. Bonds3

About N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide (PubChem CID 126934572) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
PubChem CID126934572
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3cnc4ccccc4n3)CC2)n1
InChIInChI=1S/C20H21N5O2/c1-13-6-11-19(26)25(24-13)15-9-7-14(8-10-15)22-20(27)18-12-21-16-4-2-3-5-17(16)23-18/h2-6,11-12,14-15H,7-10H2,1H3,(H,22,27)
InChIKeyOIXKEUNQHVGJBU-UHFFFAOYSA-N
XLogP2.41
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193676
N-cyclooctylquinoxaline-2-carboxamide
CID 22136387
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 126934650
N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 113265403
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 126934567
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)quinoxaline-2-carboxamide
CID 45352272
N-[(3R)-piperidin-3-yl]quinoxaline-2-carboxamide
CID 105061101
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 47031610

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide (CID 126934572) is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide is Cc1ccc(=O)n(C2CCC(NC(=O)c3cnc4ccccc4n3)CC2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
The InChIKey is OIXKEUNQHVGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-6-11-19(26)25(24-13)15-9-7-14(8-10-15)22-20(27)18-12-21-16-4-2-3-5-17(16)23-18/h2-6,11-12,14-15H,7-10H2,1H3,(H,22,27).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 126934572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).