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

C13H14N4O2 — CID 92597147

IUPACN-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H14N4O2/c1-9-12(16-19-15-9)13(18)17(11-2-3-11)8-10-4-6-14-7-5-10/h4-7,11H,2-3,8H2,1H3
InChIKeyGSICHHIHWGUMHV-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.58
Rot. Bonds4

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

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 92597147) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID92597147
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C13H14N4O2/c1-9-12(16-19-15-9)13(18)17(11-2-3-11)8-10-4-6-14-7-5-10/h4-7,11H,2-3,8H2,1H3
InChIKeyGSICHHIHWGUMHV-UHFFFAOYSA-N
XLogP1.58
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86928987
N-cyclopropyl-3,5-difluoro-N-(pyridin-4-ylmethyl)benzamide
CID 47017136
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-cyclopropyl-5-methyl-N-(pyridin-4-ylmethyl)-1H-indazole-3-carboxamide
CID 86852999
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-5-(methoxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 78858846
N-benzyl-N,4-dimethyl-1,2,5-oxadiazole-3-carboxamide
CID 110691862
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide (CID 92597147) is N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is GSICHHIHWGUMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-12(16-19-15-9)13(18)17(11-2-3-11)8-10-4-6-14-7-5-10/h4-7,11H,2-3,8H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide?
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 92597147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).