N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide

C21H21N3O2 — CID 139412818

IUPACN-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCCc1cc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnc(C)c2)no1
InChIInChI=1S/C21H21N3O2/c1-3-17-12-20(24-26-17)15-4-6-18-14(11-15)5-7-19(18)23-21(25)16-8-9-22-13(2)10-16/h4,6,8-12,19H,3,5,7H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyNHNHTOQLPQFUBE-LJQANCHMSA-N
MW347.42 g/mol
LogP4.02
Rot. Bonds4

About N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide

N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (PubChem CID 139412818) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
PubChem CID139412818
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCCc1cc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnc(C)c2)no1
InChIInChI=1S/C21H21N3O2/c1-3-17-12-20(24-26-17)15-4-6-18-14(11-15)5-7-19(18)23-21(25)16-8-9-22-13(2)10-16/h4,6,8-12,19H,3,5,7H2,1-2H3,(H,23,25)/t19-/m1/s1
InChIKeyNHNHTOQLPQFUBE-LJQANCHMSA-N
XLogP4.02
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 139412582
[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 139413144
methane;2-methyl-N-[(1R)-5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide;2-methyl-N-[5-(5-methyl-1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
CID 162024552
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2-methylpyridine-4-carboxamide
CID 139412659
N-[(1R)-5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 139412646
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-6-methylimidazo[1,2-a]pyrazine-3-carboxamide
CID 170957715
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 139412569
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 139412539
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139330786
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (CID 139412818) is N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is CCc1cc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnc(C)c2)no1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is NHNHTOQLPQFUBE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-17-12-20(24-26-17)15-4-6-18-14(11-15)5-7-19(18)23-21(25)16-8-9-22-13(2)10-16/h4,6,8-12,19H,3,5,7H2,1-2H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 139412818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).