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

C22H24N4O2 — CID 53134007

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCCC3=CCCCC3)o2)cc1
InChIInChI=1S/C22H24N4O2/c1-27-18-11-9-17(10-12-18)21-25-26-22(28-21)19-8-5-14-23-20(19)24-15-13-16-6-3-2-4-7-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,23,24)
InChIKeyJWAYSHJEFYBBLX-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.11
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (PubChem CID 53134007) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
PubChem CID53134007
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3cccnc3NCCC3=CCCCC3)o2)cc1
InChIInChI=1S/C22H24N4O2/c1-27-18-11-9-17(10-12-18)21-25-26-22(28-21)19-8-5-14-23-20(19)24-15-13-16-6-3-2-4-7-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,23,24)
InChIKeyJWAYSHJEFYBBLX-UHFFFAOYSA-N
XLogP5.11
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-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

N-(3-methoxyphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644890
Pyrrolo-pyrimidone, 4
CID 135874060
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-pyridin-2-yl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884950
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
3-(6-Methoxy-3-pyridyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyridin-2-amine
CID 53312317
[5-amino-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl](4-methoxyphenyl)methanone
CID 971729
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
Diethyl-[3-[[5-[5-(4-isobutoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-pyridyl]amino]propyl]amine
CID 2526579
4-methoxy-N-{1-[1-(4-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24817226
N-(5-methyl-2-pyridinyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 24980158
N-(4-methoxyphenyl)-5-[2-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 44408374

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine (CID 53134007) is N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is COc1ccc(-c2nnc(-c3cccnc3NCCC3=CCCCC3)o2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
The InChIKey is JWAYSHJEFYBBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-27-18-11-9-17(10-12-18)21-25-26-22(28-21)19-8-5-14-23-20(19)24-15-13-16-6-3-2-4-7-16/h5-6,8-12,14H,2-4,7,13,15H2,1H3,(H,23,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine?
N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine has a molecular weight of 376.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 53134007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).