4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

C10H11N5O2 — CID 62685944

IUPAC4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1nonc1N
InChIInChI=1S/C10H11N5O2/c1-15(6-7-2-4-12-5-3-7)10(16)8-9(11)14-17-13-8/h2-5H,6H2,1H3,(H2,11,14)
InChIKeyMVBXDVCAKKYPAK-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.32
Rot. Bonds3

About 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62685944) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62685944
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1nonc1N
InChIInChI=1S/C10H11N5O2/c1-15(6-7-2-4-12-5-3-7)10(16)8-9(11)14-17-13-8/h2-5H,6H2,1H3,(H2,11,14)
InChIKeyMVBXDVCAKKYPAK-UHFFFAOYSA-N
XLogP0.32
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 55104192
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
4-amino-3,5-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 63185451
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
4-amino-5-cyclopropyl-N-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62078609
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 62687071
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 43564524
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 92597147

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (CID 62685944) is 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is CN(Cc1ccncc1)C(=O)c1nonc1N.
What is the InChIKey of 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MVBXDVCAKKYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-15(6-7-2-4-12-5-3-7)10(16)8-9(11)14-17-13-8/h2-5H,6H2,1H3,(H2,11,14).
What are the key properties of 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62685944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).