4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine

C16H21N5O — CID 133320073

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine
SMILESC=CCN1CCC(Nc2cc(-c3nc(C)no3)ccn2)CC1
InChIInChI=1S/C16H21N5O/c1-3-8-21-9-5-14(6-10-21)19-15-11-13(4-7-17-15)16-18-12(2)20-22-16/h3-4,7,11,14H,1,5-6,8-10H2,2H3,(H,17,19)
InChIKeyAECRFOLKHWAPQI-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.50
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine (PubChem CID 133320073) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine
PubChem CID133320073
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine
SMILESC=CCN1CCC(Nc2cc(-c3nc(C)no3)ccn2)CC1
InChIInChI=1S/C16H21N5O/c1-3-8-21-9-5-14(6-10-21)19-15-11-13(4-7-17-15)16-18-12(2)20-22-16/h3-4,7,11,14H,1,5-6,8-10H2,2H3,(H,17,19)
InChIKeyAECRFOLKHWAPQI-UHFFFAOYSA-N
XLogP2.50
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-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

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
N-[4-(azepan-1-yl)butyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 134711406
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 154800103
6-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 133320035
5-methyl-N-(1-prop-2-enylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 91956607
3-methyl-5-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazole
CID 71978085
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888478
2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
CID 63626089
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56770081
N-cyclohexyl-2-(cyclohexylmethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 166767624
N-(3,5-dimethoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 133362349
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
CID 133447507

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine (CID 133320073) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine is C=CCN1CCC(Nc2cc(-c3nc(C)no3)ccn2)CC1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is AECRFOLKHWAPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-8-21-9-5-14(6-10-21)19-15-11-13(4-7-17-15)16-18-12(2)20-22-16/h3-4,7,11,14H,1,5-6,8-10H2,2H3,(H,17,19).
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 299.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-prop-2-enylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 133320073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).