5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

C24H22F2N6O2 — CID 135307217

IUPAC5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccc(F)c(F)c2)cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(=O)n1C
InChIInChI=1S/C24H22F2N6O2/c1-13(2)32-12-27-30-22(32)20-6-5-7-21(28-20)29-23(33)17-11-16(14(3)31(4)24(17)34)15-8-9-18(25)19(26)10-15/h5-13H,1-4H3,(H,28,29,33)
InChIKeyGSMMHYGAYCPIEE-UHFFFAOYSA-N
MW464.48 g/mol
LogP4.13
Rot. Bonds5

About 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide

5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 135307217) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID135307217
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESCc1c(-c2ccc(F)c(F)c2)cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(=O)n1C
InChIInChI=1S/C24H22F2N6O2/c1-13(2)32-12-27-30-22(32)20-6-5-7-21(28-20)29-23(33)17-11-16(14(3)31(4)24(17)34)15-8-9-18(25)19(26)10-15/h5-13H,1-4H3,(H,28,29,33)
InChIKeyGSMMHYGAYCPIEE-UHFFFAOYSA-N
XLogP4.13
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 135307217) is 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is Cc1c(-c2ccc(F)c(F)c2)cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(=O)n1C.
What is the InChIKey of 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GSMMHYGAYCPIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-13(2)32-12-27-30-22(32)20-6-5-7-21(28-20)29-23(33)17-11-16(14(3)31(4)24(17)34)15-8-9-18(25)19(26)10-15/h5-13H,1-4H3,(H,28,29,33).
What are the key properties of 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide?
5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1,6-dimethyl-2-oxo-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 135307217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).