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

C20H22N4O — CID 133322061

IUPACN-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCC3CC3c3ccccc3)c2)n1
InChIInChI=1S/C20H22N4O/c1-13(2)19-23-20(25-24-19)15-8-9-21-18(11-15)22-12-16-10-17(16)14-6-4-3-5-7-14/h3-9,11,13,16-17H,10,12H2,1-2H3,(H,21,22)
InChIKeyMLTOTWXSOHBTLK-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.47
Rot. Bonds6

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

N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133322061) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133322061
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCC(C)c1noc(-c2ccnc(NCC3CC3c3ccccc3)c2)n1
InChIInChI=1S/C20H22N4O/c1-13(2)19-23-20(25-24-19)15-8-9-21-18(11-15)22-12-16-10-17(16)14-6-4-3-5-7-14/h3-9,11,13,16-17H,10,12H2,1-2H3,(H,21,22)
InChIKeyMLTOTWXSOHBTLK-UHFFFAOYSA-N
XLogP4.47
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133322061) is N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CC(C)c1noc(-c2ccnc(NCC3CC3c3ccccc3)c2)n1.
What is the InChIKey of N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is MLTOTWXSOHBTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13(2)19-23-20(25-24-19)15-8-9-21-18(11-15)22-12-16-10-17(16)14-6-4-3-5-7-14/h3-9,11,13,16-17H,10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylcyclopropyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133322061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).