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

C21H20N4O2 — CID 139413052

IUPACN-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C5CC5)n4)ccc32)ccn1
InChIInChI=1S/C21H20N4O2/c1-12-10-16(8-9-22-12)20(26)23-18-7-5-14-11-15(4-6-17(14)18)19-24-21(27-25-19)13-2-3-13/h4,6,8-11,13,18H,2-3,5,7H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyIDEORZMIWDYNAP-GOSISDBHSA-N
MW360.42 g/mol
LogP3.73
Rot. Bonds4

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

N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (PubChem CID 139413052) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
PubChem CID139413052
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C5CC5)n4)ccc32)ccn1
InChIInChI=1S/C21H20N4O2/c1-12-10-16(8-9-22-12)20(26)23-18-7-5-14-11-15(4-6-17(14)18)19-24-21(27-25-19)13-2-3-13/h4,6,8-11,13,18H,2-3,5,7H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyIDEORZMIWDYNAP-GOSISDBHSA-N
XLogP3.73
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.73
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-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (CID 139413052) is N-[(1R)-5-(5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(C5CC5)n4)ccc32)ccn1.
What is the InChIKey of N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is IDEORZMIWDYNAP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-10-16(8-9-22-12)20(26)23-18-7-5-14-11-15(4-6-17(14)18)19-24-21(27-25-19)13-2-3-13/h4,6,8-11,13,18H,2-3,5,7H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
N-[(1R)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.73, 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-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 139413052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).