N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

C19H19N5O2 — CID 50827823

IUPACN-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C19H19N5O2/c25-18(21-13-14-4-3-9-20-12-14)19-22-17(23-26-19)15-5-7-16(8-6-15)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H,21,25)
InChIKeyFJFARGWZIQFHNX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.66
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827823) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827823
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1cccnc1)c1nc(-c2ccc(N3CCCC3)cc2)no1
InChIInChI=1S/C19H19N5O2/c25-18(21-13-14-4-3-9-20-12-14)19-22-17(23-26-19)15-5-7-16(8-6-15)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H,21,25)
InChIKeyFJFARGWZIQFHNX-UHFFFAOYSA-N
XLogP2.66
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010140
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258918
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(4-fluorophenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827954
N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827865

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 50827823) is N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1cccnc1)c1nc(-c2ccc(N3CCCC3)cc2)no1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is FJFARGWZIQFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(21-13-14-4-3-9-20-12-14)19-22-17(23-26-19)15-5-7-16(8-6-15)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H,21,25).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).