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

C15H18N6O2 — CID 133463420

IUPACN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1nc(CN(C)c2cc(-c3nc(C(C)C)no3)ccn2)no1
InChIInChI=1S/C15H18N6O2/c1-9(2)14-18-15(23-20-14)11-5-6-16-13(7-11)21(4)8-12-17-10(3)22-19-12/h5-7,9H,8H2,1-4H3
InChIKeyLBJMBIYHXZPTKP-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.58
Rot. Bonds5

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

N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133463420) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133463420
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC NameN-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1nc(CN(C)c2cc(-c3nc(C(C)C)no3)ccn2)no1
InChIInChI=1S/C15H18N6O2/c1-9(2)14-18-15(23-20-14)11-5-6-16-13(7-11)21(4)8-12-17-10(3)22-19-12/h5-7,9H,8H2,1-4H3
InChIKeyLBJMBIYHXZPTKP-UHFFFAOYSA-N
XLogP2.58
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

2-[methyl-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethanol
CID 133381525
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133432082
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133385920
N-ethyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 133334503
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133382324
5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 133463332
4-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79078348
1-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754014
6-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463316
5-methyl-3-propan-2-yl-1,2,4-oxadiazole
CID 18785175
N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133459006

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133463420) is N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1nc(CN(C)c2cc(-c3nc(C(C)C)no3)ccn2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is LBJMBIYHXZPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9(2)14-18-15(23-20-14)11-5-6-16-13(7-11)21(4)8-12-17-10(3)22-19-12/h5-7,9H,8H2,1-4H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 314.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133463420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).