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

C17H22N6O — CID 42290566

IUPACN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCCN(Cc1nccn1C)c1ccc(-c2nc(C(C)C)no2)cn1
InChIInChI=1S/C17H22N6O/c1-5-23(11-15-18-8-9-22(15)4)14-7-6-13(10-19-14)17-20-16(12(2)3)21-24-17/h6-10,12H,5,11H2,1-4H3
InChIKeyWWWMOFIKMKZXEY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.02
Rot. Bonds6

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

N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 42290566) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID42290566
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCCN(Cc1nccn1C)c1ccc(-c2nc(C(C)C)no2)cn1
InChIInChI=1S/C17H22N6O/c1-5-23(11-15-18-8-9-22(15)4)14-7-6-13(10-19-14)17-20-16(12(2)3)21-24-17/h6-10,12H,5,11H2,1-4H3
InChIKeyWWWMOFIKMKZXEY-UHFFFAOYSA-N
XLogP3.02
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 42290566) is N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is CCN(Cc1nccn1C)c1ccc(-c2nc(C(C)C)no2)cn1.
What is the InChIKey of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is WWWMOFIKMKZXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-5-23(11-15-18-8-9-22(15)4)14-7-6-13(10-19-14)17-20-16(12(2)3)21-24-17/h6-10,12H,5,11H2,1-4H3.
What are the key properties of N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 42290566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).