3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide

C20H19N5O2 — CID 70754814

IUPAC3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2nc(-c3cccnc3)no2)[nH]c2ccccc12
InChIInChI=1S/C20H19N5O2/c1-3-14-15-8-4-5-9-16(15)22-18(14)20(26)25(2)12-17-23-19(24-27-17)13-7-6-10-21-11-13/h4-11,22H,3,12H2,1-2H3
InChIKeyLNYRTOJXBYUZOV-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.45
Rot. Bonds5

About 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide

3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 70754814) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
PubChem CID70754814
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2nc(-c3cccnc3)no2)[nH]c2ccccc12
InChIInChI=1S/C20H19N5O2/c1-3-14-15-8-4-5-9-16(15)22-18(14)20(26)25(2)12-17-23-19(24-27-17)13-7-6-10-21-11-13/h4-11,22H,3,12H2,1-2H3
InChIKeyLNYRTOJXBYUZOV-UHFFFAOYSA-N
XLogP3.45
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2,4-dioxo-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 70736396
2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 56738399
N,5-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indazole-7-carboxamide
CID 155947626
N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 70716110
(2R)-N-methyl-2-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 97143739
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70717806
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70759969
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 95769380
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide (CID 70754814) is 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide is CCc1c(C(=O)N(C)Cc2nc(-c3cccnc3)no2)[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LNYRTOJXBYUZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-14-15-8-4-5-9-16(15)22-18(14)20(26)25(2)12-17-23-19(24-27-17)13-7-6-10-21-11-13/h4-11,22H,3,12H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide?
3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 70754814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).