N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C22H24N4O — CID 53126653

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1ccc(-c2noc(-c3ccc(NCCC4=CCCCC4)nc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-16-7-9-18(10-8-16)21-25-22(27-26-21)19-11-12-20(24-15-19)23-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14H2,1H3,(H,23,24)
InChIKeyMNMRYJHHPZUODV-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.41
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 53126653) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID53126653
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCc1ccc(-c2noc(-c3ccc(NCCC4=CCCCC4)nc3)n2)cc1
InChIInChI=1S/C22H24N4O/c1-16-7-9-18(10-8-16)21-25-22(27-26-21)19-11-12-20(24-15-19)23-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14H2,1H3,(H,23,24)
InChIKeyMNMRYJHHPZUODV-UHFFFAOYSA-N
XLogP5.41
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 53037257
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238154
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 50828875
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
6-[2-(cyclohexen-1-yl)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109152727
N-[2-(cyclohexen-1-yl)ethyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135844
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369
6-[2-(cyclohexen-1-yl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109152703
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885543
6-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109152689

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 53126653) is N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Cc1ccc(-c2noc(-c3ccc(NCCC4=CCCCC4)nc3)n2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is MNMRYJHHPZUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-7-9-18(10-8-16)21-25-22(27-26-21)19-11-12-20(24-15-19)23-14-13-17-5-3-2-4-6-17/h5,7-12,15H,2-4,6,13-14H2,1H3,(H,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 360.46 g/mol, XLogP of 5.41, 6 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]-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 53126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).