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

C17H19N5O2 — CID 28953742

IUPAC5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
SMILESCOCc1noc(-c2ccc(N(C)Cc3ccncc3C)nc2)n1
InChIInChI=1S/C17H19N5O2/c1-12-8-18-7-6-14(12)10-22(2)16-5-4-13(9-19-16)17-20-15(11-23-3)21-24-17/h4-9H,10-11H2,1-3H3
InChIKeyXEYFUKDZVLZIRK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.62
Rot. Bonds6

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

5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine (PubChem CID 28953742) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
PubChem CID28953742
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
SMILESCOCc1noc(-c2ccc(N(C)Cc3ccncc3C)nc2)n1
InChIInChI=1S/C17H19N5O2/c1-12-8-18-7-6-14(12)10-22(2)16-5-4-13(9-19-16)17-20-15(11-23-3)21-24-17/h4-9H,10-11H2,1-3H3
InChIKeyXEYFUKDZVLZIRK-UHFFFAOYSA-N
XLogP2.62
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
CID 28823846
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridin-2-amine
CID 26396539
N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45208311
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 25311019
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyrazin-2-ylmethyl)pyridin-2-amine
CID 28871899
N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26328511
6-methoxy-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyrimidin-4-amine
CID 50962032
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28954828
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
5-(4-fluoro-2-methylphenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167795893
(3R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-3-(2-methylphenyl)pyrrolidin-3-ol
CID 95891551
5-bromo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 133463332

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine (CID 28953742) is 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine is COCc1noc(-c2ccc(N(C)Cc3ccncc3C)nc2)n1.
What is the InChIKey of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is XEYFUKDZVLZIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-8-18-7-6-14(12)10-22(2)16-5-4-13(9-19-16)17-20-15(11-23-3)21-24-17/h4-9H,10-11H2,1-3H3.
What are the key properties of 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine?
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 325.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 28953742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).