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

C23H27N5O — CID 154639968

IUPACN,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCN(C)C)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H27N5O/c1-14(2)21-18-13-17(23-27-26-20(29-23)9-11-28(4)5)6-7-19(18)25-22(21)16-8-10-24-15(3)12-16/h6-8,10,12-14,25H,9,11H2,1-5H3
InChIKeyFYNZJBTVCBCIIK-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.82
Rot. Bonds6

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

N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 154639968) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID154639968
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCN(C)C)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H27N5O/c1-14(2)21-18-13-17(23-27-26-20(29-23)9-11-28(4)5)6-7-19(18)25-22(21)16-8-10-24-15(3)12-16/h6-8,10,12-14,25H,9,11H2,1-5H3
InChIKeyFYNZJBTVCBCIIK-UHFFFAOYSA-N
XLogP4.82
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.82
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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 154639968) is N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine is Cc1cc(-c2[nH]c3ccc(-c4nnc(CCN(C)C)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is FYNZJBTVCBCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-14(2)21-18-13-17(23-27-26-20(29-23)9-11-28(4)5)6-7-19(18)25-22(21)16-8-10-24-15(3)12-16/h6-8,10,12-14,25H,9,11H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 389.50 g/mol, XLogP of 4.82, 6 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-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 154639968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).