N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C18H20N6O2 — CID 70760900

IUPACN-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCN(CC(=O)N(C)Cc1nc(-c2ccncc2)no1)Cc1cccnc1
InChIInChI=1S/C18H20N6O2/c1-23(11-14-4-3-7-20-10-14)13-17(25)24(2)12-16-21-18(22-26-16)15-5-8-19-9-6-15/h3-10H,11-13H2,1-2H3
InChIKeyYBPFVOCUTNZRRR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.62
Rot. Bonds7

About N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 70760900) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID70760900
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCN(CC(=O)N(C)Cc1nc(-c2ccncc2)no1)Cc1cccnc1
InChIInChI=1S/C18H20N6O2/c1-23(11-14-4-3-7-20-10-14)13-17(25)24(2)12-16-21-18(22-26-16)15-5-8-19-9-6-15/h3-10H,11-13H2,1-2H3
InChIKeyYBPFVOCUTNZRRR-UHFFFAOYSA-N
XLogP1.62
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide with MolForge

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Related Compounds

N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide;formic acid
CID 154912409
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70717806
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835277
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 86822664
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
N-methyl-N-[(2-methylphenyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30533862
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 91835903
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 96579384
3-benzylsulfanyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 50875142
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
3-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100548168

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 70760900) is N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CN(CC(=O)N(C)Cc1nc(-c2ccncc2)no1)Cc1cccnc1.
What is the InChIKey of N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is YBPFVOCUTNZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23(11-14-4-3-7-20-10-14)13-17(25)24(2)12-16-21-18(22-26-16)15-5-8-19-9-6-15/h3-10H,11-13H2,1-2H3.
What are the key properties of N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 352.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70760900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).