1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide

C23H24F2N4O3 — CID 86711597

IUPAC1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cn(C3CCCC3)c(C)c(-c3cccc(C(F)F)c3)c2=O)o1
InChIInChI=1S/C23H24F2N4O3/c1-13-20(15-6-5-7-16(10-15)22(24)25)21(30)18(12-29(13)17-8-3-4-9-17)23(31)26-11-19-28-27-14(2)32-19/h5-7,10,12,17,22H,3-4,8-9,11H2,1-2H3,(H,26,31)
InChIKeyVMLSKAXWDODSHO-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.50
Rot. Bonds6

About 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide

1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide (PubChem CID 86711597) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide
PubChem CID86711597
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC Name1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide
SMILESCc1nnc(CNC(=O)c2cn(C3CCCC3)c(C)c(-c3cccc(C(F)F)c3)c2=O)o1
InChIInChI=1S/C23H24F2N4O3/c1-13-20(15-6-5-7-16(10-15)22(24)25)21(30)18(12-29(13)17-8-3-4-9-17)23(31)26-11-19-28-27-14(2)32-19/h5-7,10,12,17,22H,3-4,8-9,11H2,1-2H3,(H,26,31)
InChIKeyVMLSKAXWDODSHO-UHFFFAOYSA-N
XLogP4.50
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide (CID 86711597) is 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide is Cc1nnc(CNC(=O)c2cn(C3CCCC3)c(C)c(-c3cccc(C(F)F)c3)c2=O)o1.
What is the InChIKey of 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide?
The InChIKey is VMLSKAXWDODSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-13-20(15-6-5-7-16(10-15)22(24)25)21(30)18(12-29(13)17-8-3-4-9-17)23(31)26-11-19-28-27-14(2)32-19/h5-7,10,12,17,22H,3-4,8-9,11H2,1-2H3,(H,26,31).
What are the key properties of 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide?
1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 86711597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).