(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine

C18H21N5O — CID 71088339

IUPAC(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
SMILESCC[C@@H](CCN)Cc1nc(-c2ccc(-c3ccccn3)cn2)no1
InChIInChI=1S/C18H21N5O/c1-2-13(8-9-19)11-17-22-18(23-24-17)16-7-6-14(12-21-16)15-5-3-4-10-20-15/h3-7,10,12-13H,2,8-9,11,19H2,1H3/t13-/m0/s1
InChIKeyWCDLDVZRYKOUPP-ZDUSSCGKSA-N
MW323.40 g/mol
LogP3.11
Rot. Bonds7

About (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine

(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine (PubChem CID 71088339) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
PubChem CID71088339
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
SMILESCC[C@@H](CCN)Cc1nc(-c2ccc(-c3ccccn3)cn2)no1
InChIInChI=1S/C18H21N5O/c1-2-13(8-9-19)11-17-22-18(23-24-17)16-7-6-14(12-21-16)15-5-3-4-10-20-15/h3-7,10,12-13H,2,8-9,11,19H2,1H3/t13-/m0/s1
InChIKeyWCDLDVZRYKOUPP-ZDUSSCGKSA-N
XLogP3.11
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The IUPAC name of (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine (CID 71088339) is (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine.
What is the SMILES notation for (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The canonical SMILES for (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine is CC[C@@H](CCN)Cc1nc(-c2ccc(-c3ccccn3)cn2)no1.
What is the InChIKey of (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The InChIKey is WCDLDVZRYKOUPP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-13(8-9-19)11-17-22-18(23-24-17)16-7-6-14(12-21-16)15-5-3-4-10-20-15/h3-7,10,12-13H,2,8-9,11,19H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
(3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine has a molecular weight of 323.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-(5-pyridin-2-yl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine is sourced from PubChem (CID 71088339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).