5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C16H15ClN6O2 — CID 128999473

IUPAC5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1cnc(N2CCCC2c2nc(C(=O)NC3CC3)no2)c(Cl)c1
InChIInChI=1S/C16H15ClN6O2/c17-11-6-9(7-18)8-19-14(11)23-5-1-2-12(23)16-21-13(22-25-16)15(24)20-10-3-4-10/h6,8,10,12H,1-5H2,(H,20,24)
InChIKeyDXBARHWUJAVHFK-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.22
Rot. Bonds4

About 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 128999473) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID128999473
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESN#Cc1cnc(N2CCCC2c2nc(C(=O)NC3CC3)no2)c(Cl)c1
InChIInChI=1S/C16H15ClN6O2/c17-11-6-9(7-18)8-19-14(11)23-5-1-2-12(23)16-21-13(22-25-16)15(24)20-10-3-4-10/h6,8,10,12H,1-5H2,(H,20,24)
InChIKeyDXBARHWUJAVHFK-UHFFFAOYSA-N
XLogP2.22
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328356
N-cyclopropyl-5-[(2S)-1-(8-methylquinazolin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337947
N-cyclopropyl-5-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328981
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129334901
N-cyclopropyl-5-[(2R)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337634
N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128997249
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
N-cyclopropyl-5-[(2S)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129341144
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128977963
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
N-cyclopropyl-5-[1-[2-(3,4-difluorophenyl)ethyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129007591

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 128999473) is 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is N#Cc1cnc(N2CCCC2c2nc(C(=O)NC3CC3)no2)c(Cl)c1.
What is the InChIKey of 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is DXBARHWUJAVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c17-11-6-9(7-18)8-19-14(11)23-5-1-2-12(23)16-21-13(22-25-16)15(24)20-10-3-4-10/h6,8,10,12H,1-5H2,(H,20,24).
What are the key properties of 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 128999473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).