1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

C18H17N5O3 — CID 56770155

IUPAC1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1
InChIInChI=1S/C18H17N5O3/c24-18(25)14-4-2-8-23(11-14)15-9-12(5-7-20-15)17-21-16(22-26-17)13-3-1-6-19-10-13/h1,3,5-7,9-10,14H,2,4,8,11H2,(H,24,25)
InChIKeyKTSJNFHUVOZVTK-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.49
Rot. Bonds4

About 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid

1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 56770155) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID56770155
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1
InChIInChI=1S/C18H17N5O3/c24-18(25)14-4-2-8-23(11-14)15-9-12(5-7-20-15)17-21-16(22-26-17)13-3-1-6-19-10-13/h1,3,5-7,9-10,14H,2,4,8,11H2,(H,24,25)
InChIKeyKTSJNFHUVOZVTK-UHFFFAOYSA-N
XLogP2.49
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770201
1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770146
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
CID 174600282
1-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-ol
CID 56770168
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770067
1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769900
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 85471687
2-methyl-4-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 86806468

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 56770155) is 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(-c3nc(-c4cccnc4)no3)ccn2)C1.
What is the InChIKey of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is KTSJNFHUVOZVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(25)14-4-2-8-23(11-14)15-9-12(5-7-20-15)17-21-16(22-26-17)13-3-1-6-19-10-13/h1,3,5-7,9-10,14H,2,4,8,11H2,(H,24,25).
What are the key properties of 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 351.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 56770155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).