6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C17H20N6O — CID 95141983

IUPAC6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)nc1
InChIInChI=1S/C17H20N6O/c18-7-12-1-4-15(19-8-12)20-9-13-5-6-23(10-13)11-16-21-22-17(24-16)14-2-3-14/h1,4,8,13-14H,2-3,5-6,9-11H2,(H,19,20)/t13-/m0/s1
InChIKeyFSGYSQAPRMKLDU-ZDUSSCGKSA-N
MW324.39 g/mol
LogP2.15
Rot. Bonds6

About 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95141983) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95141983
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC[C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)nc1
InChIInChI=1S/C17H20N6O/c18-7-12-1-4-15(19-8-12)20-9-13-5-6-23(10-13)11-16-21-22-17(24-16)14-2-3-14/h1,4,8,13-14H,2-3,5-6,9-11H2,(H,19,20)/t13-/m0/s1
InChIKeyFSGYSQAPRMKLDU-ZDUSSCGKSA-N
XLogP2.15
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95141983) is 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NC[C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)nc1.
What is the InChIKey of 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is FSGYSQAPRMKLDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6O/c18-7-12-1-4-15(19-8-12)20-9-13-5-6-23(10-13)11-16-21-22-17(24-16)14-2-3-14/h1,4,8,13-14H,2-3,5-6,9-11H2,(H,19,20)/t13-/m0/s1.
What are the key properties of 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 324.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95141983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).