N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine

C21H23N5O — CID 19022934

IUPACN,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nc(Cc4ccncc4)no3)cc12
InChIInChI=1S/C21H23N5O/c1-26(2)10-7-17-14-23-19-4-3-16(11-18(17)19)13-21-24-20(25-27-21)12-15-5-8-22-9-6-15/h3-6,8-9,11,14,23H,7,10,12-13H2,1-2H3
InChIKeyCBPVXZCGFYABDJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.23
Rot. Bonds7

About N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine

N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine (PubChem CID 19022934) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine
PubChem CID19022934
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(Cc3nc(Cc4ccncc4)no3)cc12
InChIInChI=1S/C21H23N5O/c1-26(2)10-7-17-14-23-19-4-3-16(11-18(17)19)13-21-24-20(25-27-21)12-15-5-8-22-9-6-15/h3-6,8-9,11,14,23H,7,10,12-13H2,1-2H3
InChIKeyCBPVXZCGFYABDJ-UHFFFAOYSA-N
XLogP3.23
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine (CID 19022934) is N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine is CN(C)CCc1c[nH]c2ccc(Cc3nc(Cc4ccncc4)no3)cc12.
What is the InChIKey of N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine?
The InChIKey is CBPVXZCGFYABDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-26(2)10-7-17-14-23-19-4-3-16(11-18(17)19)13-21-24-20(25-27-21)12-15-5-8-22-9-6-15/h3-6,8-9,11,14,23H,7,10,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine?
N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine has a molecular weight of 361.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 19022934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).