N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C21H20N8O2 — CID 174206691

IUPACN-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C3CCCNC3)n2)nc1)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C21H20N8O2/c30-20(18-5-1-4-15(26-18)16-8-10-24-28-16)25-14-6-7-17(23-12-14)19-27-21(31-29-19)13-3-2-9-22-11-13/h1,4-8,10,12-13,22H,2-3,9,11H2,(H,24,28)(H,25,30)
InChIKeyRFJKWGIUYGJTAL-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.64
Rot. Bonds5

About N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 174206691) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID174206691
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC NameN-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C3CCCNC3)n2)nc1)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C21H20N8O2/c30-20(18-5-1-4-15(26-18)16-8-10-24-28-16)25-14-6-7-17(23-12-14)19-27-21(31-29-19)13-3-2-9-22-11-13/h1,4-8,10,12-13,22H,2-3,9,11H2,(H,24,28)(H,25,30)
InChIKeyRFJKWGIUYGJTAL-UHFFFAOYSA-N
XLogP2.64
TPSA134.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
2-[(3R)-piperidin-3-yl]-6-(1H-pyrazol-5-yl)pyridine
CID 125010017
N-(4-methylphenyl)-6-[(3S)-piperidin-3-yl]pyridine-2-carboxamide
CID 95825774
N-[5-[5-[(3S,5R)-1-prop-2-enoyl-5-(trifluoromethyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 170720068
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
CID 142361942
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
5-cyclopentyl-3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazole
CID 71088340
N-(3-bromophenyl)-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 5168956
3-fluoro-2-methyl-N-[4-[[3-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]phenyl]propanamide
CID 142211280
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 174206691) is N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is O=C(Nc1ccc(-c2noc(C3CCCNC3)n2)nc1)c1cccc(-c2ccn[nH]2)n1.
What is the InChIKey of N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is RFJKWGIUYGJTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c30-20(18-5-1-4-15(26-18)16-8-10-24-28-16)25-14-6-7-17(23-12-14)19-27-21(31-29-19)13-3-2-9-22-11-13/h1,4-8,10,12-13,22H,2-3,9,11H2,(H,24,28)(H,25,30).
What are the key properties of N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 174206691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).