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

C19H16F2N4O2 — CID 139412180

IUPACN-[(1R)-5-[5-(difluoromethyl)-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(C(F)F)n4)ccc32)ccn1
InChIInChI=1S/C19H16F2N4O2/c1-10-8-13(6-7-22-10)18(26)23-15-5-3-11-9-12(2-4-14(11)15)17-24-19(16(20)21)27-25-17/h2,4,6-9,15-16H,3,5H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyHUYJOMCFPVNTRT-OAHLLOKOSA-N
MW370.36 g/mol
LogP3.79
Rot. Bonds4

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

N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (PubChem CID 139412180) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide
PubChem CID139412180
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-[(1R)-5-[5-(difluoromethyl)-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(C(F)F)n4)ccc32)ccn1
InChIInChI=1S/C19H16F2N4O2/c1-10-8-13(6-7-22-10)18(26)23-15-5-3-11-9-12(2-4-14(11)15)17-24-19(16(20)21)27-25-17/h2,4,6-9,15-16H,3,5H2,1H3,(H,23,26)/t15-/m1/s1
InChIKeyHUYJOMCFPVNTRT-OAHLLOKOSA-N
XLogP3.79
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.79
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-(difluoromethyl)-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-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide (CID 139412180) is N-[(1R)-5-[5-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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(C(F)F)n4)ccc32)ccn1.
What is the InChIKey of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is HUYJOMCFPVNTRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-10-8-13(6-7-22-10)18(26)23-15-5-3-11-9-12(2-4-14(11)15)17-24-19(16(20)21)27-25-17/h2,4,6-9,15-16H,3,5H2,1H3,(H,23,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide?
N-[(1R)-5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.79, 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-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 139412180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).