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

C20H20N4O2 — CID 139412284

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnc(C)c2)no1
InChIInChI=1S/C20H20N4O2/c1-3-18-23-19(24-26-18)14-4-6-16-13(11-14)5-7-17(16)22-20(25)15-8-9-21-12(2)10-15/h4,6,8-11,17H,3,5,7H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyNPNBXRVDDZBTQT-QGZVFWFLSA-N
MW348.41 g/mol
LogP3.42
Rot. Bonds4

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

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (PubChem CID 139412284) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
PubChem CID139412284
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnc(C)c2)no1
InChIInChI=1S/C20H20N4O2/c1-3-18-23-19(24-26-18)14-4-6-16-13(11-14)5-7-17(16)22-20(25)15-8-9-21-12(2)10-15/h4,6,8-11,17H,3,5,7H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyNPNBXRVDDZBTQT-QGZVFWFLSA-N
XLogP3.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (CID 139412284) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccnc(C)c2)no1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is NPNBXRVDDZBTQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-18-23-19(24-26-18)14-4-6-16-13(11-14)5-7-17(16)22-20(25)15-8-9-21-12(2)10-15/h4,6,8-11,17H,3,5,7H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 139412284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).