N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide

C16H19N3O — CID 110672196

IUPACN-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1ccc2nccnc2c1)C1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(13-4-2-1-3-5-13)19-11-12-6-7-14-15(10-12)18-9-8-17-14/h6-10,13H,1-5,11H2,(H,19,20)
InChIKeyQFJIOEOFZOCLGG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds3

About N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide

N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide (PubChem CID 110672196) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
PubChem CID110672196
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCc1ccc2nccnc2c1)C1CCCCC1
InChIInChI=1S/C16H19N3O/c20-16(13-4-2-1-3-5-13)19-11-12-6-7-14-15(10-12)18-9-8-17-14/h6-10,13H,1-5,11H2,(H,19,20)
InChIKeyQFJIOEOFZOCLGG-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-benzylcyclopentanecarboxamide
CID 835634
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
4-N-cyclohexyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146108
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
2-ethyl-N-(quinoxalin-6-ylmethyl)butanamide
CID 110672201
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide (CID 110672196) is N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide is O=C(NCc1ccc2nccnc2c1)C1CCCCC1.
What is the InChIKey of N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide?
The InChIKey is QFJIOEOFZOCLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(13-4-2-1-3-5-13)19-11-12-6-7-14-15(10-12)18-9-8-17-14/h6-10,13H,1-5,11H2,(H,19,20).
What are the key properties of N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide?
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 110672196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).