5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide

C25H23F2N5O2 — CID 159030451

IUPAC5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(-c2cc(F)cc(F)c2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C
InChIInChI=1S/C25H23F2N5O2/c1-14(2)32-9-8-28-23(32)21-6-5-7-22(29-21)30-24(33)20-13-19(15(3)31(4)25(20)34)16-10-17(26)12-18(27)11-16/h5-14H,1-4H3,(H,29,30,33)
InChIKeyXROHYOSCPSHIRG-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.73
Rot. Bonds5

About 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide

5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 159030451) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID159030451
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(-c2cc(F)cc(F)c2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C
InChIInChI=1S/C25H23F2N5O2/c1-14(2)32-9-8-28-23(32)21-6-5-7-22(29-21)30-24(33)20-13-19(15(3)31(4)25(20)34)16-10-17(26)12-18(27)11-16/h5-14H,1-4H3,(H,29,30,33)
InChIKeyXROHYOSCPSHIRG-UHFFFAOYSA-N
XLogP4.73
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 159030451) is 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide is Cc1c(-c2cc(F)cc(F)c2)cc(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)c(=O)n1C.
What is the InChIKey of 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is XROHYOSCPSHIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-14(2)32-9-8-28-23(32)21-6-5-7-22(29-21)30-24(33)20-13-19(15(3)31(4)25(20)34)16-10-17(26)12-18(27)11-16/h5-14H,1-4H3,(H,29,30,33).
What are the key properties of 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide?
5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 159030451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).