6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine

C20H23N5O — CID 95980786

IUPAC6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine
SMILESCc1cccc(NC[C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C20H23N5O/c1-15-7-5-11-18(22-15)21-13-17-10-6-12-25(17)14-19-23-24-20(26-19)16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyQVXGDWSTHMOPAG-QGZVFWFLSA-N
MW349.44 g/mol
LogP3.52
Rot. Bonds6

About 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine

6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine (PubChem CID 95980786) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine
PubChem CID95980786
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine
SMILESCc1cccc(NC[C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)n1
InChIInChI=1S/C20H23N5O/c1-15-7-5-11-18(22-15)21-13-17-10-6-12-25(17)14-19-23-24-20(26-19)16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyQVXGDWSTHMOPAG-QGZVFWFLSA-N
XLogP3.52
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine (CID 95980786) is 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine is Cc1cccc(NC[C@H]2CCCN2Cc2nnc(-c3ccccc3)o2)n1.
What is the InChIKey of 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine?
The InChIKey is QVXGDWSTHMOPAG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-7-5-11-18(22-15)21-13-17-10-6-12-25(17)14-19-23-24-20(26-19)16-8-3-2-4-9-16/h2-5,7-9,11,17H,6,10,12-14H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine?
6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine has a molecular weight of 349.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2R)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95980786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).