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

C15H16N4O2 — CID 133382324

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(N(C)Cc3ccc(C)o3)c2)n1
InChIInChI=1S/C15H16N4O2/c1-10-4-5-13(20-10)9-19(3)14-8-12(6-7-16-14)15-17-11(2)18-21-15/h4-8H,9H2,1-3H3
InChIKeyPKLSXHLOQGIPPR-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.98
Rot. Bonds4

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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 133382324) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID133382324
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(N(C)Cc3ccc(C)o3)c2)n1
InChIInChI=1S/C15H16N4O2/c1-10-4-5-13(20-10)9-19(3)14-8-12(6-7-16-14)15-17-11(2)18-21-15/h4-8H,9H2,1-3H3
InChIKeyPKLSXHLOQGIPPR-UHFFFAOYSA-N
XLogP2.98
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 133382324) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2ccnc(N(C)Cc3ccc(C)o3)c2)n1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is PKLSXHLOQGIPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-4-5-13(20-10)9-19(3)14-8-12(6-7-16-14)15-17-11(2)18-21-15/h4-8H,9H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 284.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 133382324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).