N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C21H23N5O — CID 53067637

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)ccc1-n1nnc2cccnc21
InChIInChI=1S/C21H23N5O/c1-15-14-17(21(27)23-13-11-16-6-3-2-4-7-16)9-10-19(15)26-20-18(24-25-26)8-5-12-22-20/h5-6,8-10,12,14H,2-4,7,11,13H2,1H3,(H,23,27)
InChIKeyOGIZGGNMADUPGU-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 53067637) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID53067637
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCc1cc(C(=O)NCCC2=CCCCC2)ccc1-n1nnc2cccnc21
InChIInChI=1S/C21H23N5O/c1-15-14-17(21(27)23-13-11-16-6-3-2-4-7-16)9-10-19(15)26-20-18(24-25-26)8-5-12-22-20/h5-6,8-10,12,14H,2-4,7,11,13H2,1H3,(H,23,27)
InChIKeyOGIZGGNMADUPGU-UHFFFAOYSA-N
XLogP3.74
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-methylphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53067645
N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20908444
N-[2-(cyclohexen-1-yl)ethyl]-4-[[2-[(3-fluorophenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]benzamide
CID 20887287
4-(benzotriazol-1-ylmethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 26928258
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387902
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 53067637) is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is Cc1cc(C(=O)NCCC2=CCCCC2)ccc1-n1nnc2cccnc21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is OGIZGGNMADUPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-14-17(21(27)23-13-11-16-6-3-2-4-7-16)9-10-19(15)26-20-18(24-25-26)8-5-12-22-20/h5-6,8-10,12,14H,2-4,7,11,13H2,1H3,(H,23,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 53067637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).