3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine

C18H18N4O — CID 133322060

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCC2CC2c2ccccc2)n1
InChIInChI=1S/C18H18N4O/c1-12-21-18(23-22-12)15-8-5-9-19-17(15)20-11-14-10-16(14)13-6-3-2-4-7-13/h2-9,14,16H,10-11H2,1H3,(H,19,20)
InChIKeyXEKMQTKEUUAEJP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.66
Rot. Bonds5

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine (PubChem CID 133322060) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
PubChem CID133322060
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine
SMILESCc1noc(-c2cccnc2NCC2CC2c2ccccc2)n1
InChIInChI=1S/C18H18N4O/c1-12-21-18(23-22-12)15-8-5-9-19-17(15)20-11-14-10-16(14)13-6-3-2-4-7-13/h2-9,14,16H,10-11H2,1H3,(H,19,20)
InChIKeyXEKMQTKEUUAEJP-UHFFFAOYSA-N
XLogP3.66
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,4-Oxadiazole, 3,5-bis(3-pyridinyl)-
CID 577830
3-(5-Pyridin-3-yl-[1,2,4]oxadiazol-3-yl)-quinolin-2-ol
CID 647656
3-Phenyl-5-(3-pyridyl)-1,2,4-oxadiazole
CID 1122276
5-(4-Butylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2055443
5-(5-{(1R)-4-cyclohexyl-1-[2-(hydroxyamino)-2-oxoethyl]butyl}-1,2,4-oxadiazol-3-yl)nicotinic acid
CID 10179230
3-[2-ethyl-4-[5-[5-ethyl-6-[methyl(propan-2-yl)amino]-3-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenyl]-N-(2-hydroxyethyl)propanamide
CID 44218906
5-[4-[1-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68074929
(3S,4S)-4-(cyclohexylamino)-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-ol
CID 118264112
N-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 25282110
5-(2-chloro-3-pyridinyl)-N-(3,3-diphenylpropyl)-1,2,4-oxadiazol-3-amine
CID 44526849
5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-[2-(methoxymethyl)-1-piperidinyl]pyridine
CID 45186809
5-[6-(Ethylcarbamoylamino)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyridine-3-carboxylic acid
CID 72712258

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine (CID 133322060) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine is Cc1noc(-c2cccnc2NCC2CC2c2ccccc2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine?
The InChIKey is XEKMQTKEUUAEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-21-18(23-22-12)15-8-5-9-19-17(15)20-11-14-10-16(14)13-6-3-2-4-7-13/h2-9,14,16H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine has a molecular weight of 306.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-phenylcyclopropyl)methyl]pyridin-2-amine is sourced from PubChem (CID 133322060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).