5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide

C23H27F2N3O3 — CID 127053920

IUPAC5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCC2CCCC(=O)N2)cn1C(C)C
InChIInChI=1S/C23H27F2N3O3/c1-13(2)28-12-18(23(31)26-11-17-8-5-9-19(29)27-17)21(30)20(14(28)3)15-6-4-7-16(10-15)22(24)25/h4,6-7,10,12-13,17,22H,5,8-9,11H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyHZJHAHLFNWTIGU-UHFFFAOYSA-N
MW431.48 g/mol
LogP3.74
Rot. Bonds6

About 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide

5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 127053920) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide
PubChem CID127053920
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC Name5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCC2CCCC(=O)N2)cn1C(C)C
InChIInChI=1S/C23H27F2N3O3/c1-13(2)28-12-18(23(31)26-11-17-8-5-9-19(29)27-17)21(30)20(14(28)3)15-6-4-7-16(10-15)22(24)25/h4,6-7,10,12-13,17,22H,5,8-9,11H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyHZJHAHLFNWTIGU-UHFFFAOYSA-N
XLogP3.74
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide (CID 127053920) is 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide is Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCC2CCCC(=O)N2)cn1C(C)C.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is HZJHAHLFNWTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-13(2)28-12-18(23(31)26-11-17-8-5-9-19(29)27-17)21(30)20(14(28)3)15-6-4-7-16(10-15)22(24)25/h4,6-7,10,12-13,17,22H,5,8-9,11H2,1-3H3,(H,26,31)(H,27,29).
What are the key properties of 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide?
5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 431.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-6-methyl-4-oxo-N-[(6-oxopiperidin-2-yl)methyl]-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 127053920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).