2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide

C20H19N5O2 — CID 16673227

IUPAC2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NC(C)c3nc(-c4cccnc4)no3)cccc2c1C
InChIInChI=1S/C20H19N5O2/c1-11-12(2)22-17-15(11)7-4-8-16(17)19(26)23-13(3)20-24-18(25-27-20)14-6-5-9-21-10-14/h4-10,13,22H,1-3H3,(H,23,26)
InChIKeyUUMXLIMITIXELL-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.72
Rot. Bonds4

About 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide

2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide (PubChem CID 16673227) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide
PubChem CID16673227
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide
SMILESCc1[nH]c2c(C(=O)NC(C)c3nc(-c4cccnc4)no3)cccc2c1C
InChIInChI=1S/C20H19N5O2/c1-11-12(2)22-17-15(11)7-4-8-16(17)19(26)23-13(3)20-24-18(25-27-20)14-6-5-9-21-10-14/h4-10,13,22H,1-3H3,(H,23,26)
InChIKeyUUMXLIMITIXELL-UHFFFAOYSA-N
XLogP3.72
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126449538
N-[1-(1-benzofuran-2-yl)ethyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 43060113
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62627315
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 136883298
3-(methanesulfonamido)-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 125178000
1-methyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
CID 91767417
3-methyl-5-propyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 45242404
2,3-dimethyl-N-[(R)-phenyl(pyridin-4-yl)methyl]-1H-indole-7-carboxamide
CID 92604302
2-pyridin-2-yl-N-[(1R)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99926307
2-fluoro-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101311
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56743859
1-[[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamoylamino]cyclopentane-1-carboxamide
CID 126441535

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide (CID 16673227) is 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide is Cc1[nH]c2c(C(=O)NC(C)c3nc(-c4cccnc4)no3)cccc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide?
The InChIKey is UUMXLIMITIXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-12(2)22-17-15(11)7-4-8-16(17)19(26)23-13(3)20-24-18(25-27-20)14-6-5-9-21-10-14/h4-10,13,22H,1-3H3,(H,23,26).
What are the key properties of 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide?
2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 16673227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).