N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C14H17N5O2 — CID 119840708

IUPACN-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)no1)C1CCCNC1
InChIInChI=1S/C14H17N5O2/c20-14(11-2-1-5-16-8-11)17-9-12-18-13(19-21-12)10-3-6-15-7-4-10/h3-4,6-7,11,16H,1-2,5,8-9H2,(H,17,20)
InChIKeyBOICUEUMVICSTD-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.75
Rot. Bonds4

About N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 119840708) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID119840708
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)no1)C1CCCNC1
InChIInChI=1S/C14H17N5O2/c20-14(11-2-1-5-16-8-11)17-9-12-18-13(19-21-12)10-3-6-15-7-4-10/h3-4,6-7,11,16H,1-2,5,8-9H2,(H,17,20)
InChIKeyBOICUEUMVICSTD-UHFFFAOYSA-N
XLogP0.75
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 170355224
(2R)-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119840711
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964
(3R)-N-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 106417230
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
cis-(1S,3R)-2,2-dimethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95859031
1-benzyl-5-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 78839031
1-cyclopropyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 43655500
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 134046040
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 119840708) is N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCc1nc(-c2ccncc2)no1)C1CCCNC1.
What is the InChIKey of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is BOICUEUMVICSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-14(11-2-1-5-16-8-11)17-9-12-18-13(19-21-12)10-3-6-15-7-4-10/h3-4,6-7,11,16H,1-2,5,8-9H2,(H,17,20).
What are the key properties of N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119840708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).