6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide

C22H22N4O2 — CID 177230066

IUPAC6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1)N(C(=O)N[C@@H]1CCc3cc(-c4nc(C)no4)ccc31)CC2
InChIInChI=1S/C22H22N4O2/c1-13-3-4-15-9-10-26(20(15)11-13)22(27)24-19-8-6-16-12-17(5-7-18(16)19)21-23-14(2)25-28-21/h3-5,7,11-12,19H,6,8-10H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyFBPYQVFDALZCQG-LJQANCHMSA-N
MW374.44 g/mol
LogP4.11
Rot. Bonds2

About 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide

6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 177230066) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID177230066
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide
SMILESCc1ccc2c(c1)N(C(=O)N[C@@H]1CCc3cc(-c4nc(C)no4)ccc31)CC2
InChIInChI=1S/C22H22N4O2/c1-13-3-4-15-9-10-26(20(15)11-13)22(27)24-19-8-6-16-12-17(5-7-18(16)19)21-23-14(2)25-28-21/h3-5,7,11-12,19H,6,8-10H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyFBPYQVFDALZCQG-LJQANCHMSA-N
XLogP4.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-3-carboxamide
CID 139412251
1-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412462
tert-butyl N-[(1R)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139330971
3-methyl-N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-oxadiazole-5-carboxamide
CID 139412365
N-[4-[2-[7-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]ethyl]cyclohexyl]-2-naphthalen-2-ylacetamide
CID 11642165
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
2-amino-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119302154
[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 139413144
N-[(1R)-5-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-2-methyltetrazole-5-carboxamide
CID 139412831
(3R)-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 139412225
1-cyclobutyl-3-[(1R)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylurea
CID 177230129
2-methyl-N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
CID 139412361

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide (CID 177230066) is 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide is Cc1ccc2c(c1)N(C(=O)N[C@@H]1CCc3cc(-c4nc(C)no4)ccc31)CC2.
What is the InChIKey of 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is FBPYQVFDALZCQG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-3-4-15-9-10-26(20(15)11-13)22(27)24-19-8-6-16-12-17(5-7-18(16)19)21-23-14(2)25-28-21/h3-5,7,11-12,19H,6,8-10H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide?
6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 177230066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).