2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide

C22H17F4N5O — CID 45274598

IUPAC2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
SMILESCC1=C(c2cnc(NC(=O)c3c(F)cc(F)cc3F)cn2)CN(c2ncccc2F)CC1
InChIInChI=1S/C22H17F4N5O/c1-12-4-6-31(21-15(24)3-2-5-27-21)11-14(12)18-9-29-19(10-28-18)30-22(32)20-16(25)7-13(23)8-17(20)26/h2-3,5,7-10H,4,6,11H2,1H3,(H,29,30,32)
InChIKeyUEILAFBYDVKYJG-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.36
Rot. Bonds4

About 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide

2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide (PubChem CID 45274598) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
PubChem CID45274598
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide
SMILESCC1=C(c2cnc(NC(=O)c3c(F)cc(F)cc3F)cn2)CN(c2ncccc2F)CC1
InChIInChI=1S/C22H17F4N5O/c1-12-4-6-31(21-15(24)3-2-5-27-21)11-14(12)18-9-29-19(10-28-18)30-22(32)20-16(25)7-13(23)8-17(20)26/h2-3,5,7-10H,4,6,11H2,1H3,(H,29,30,32)
InChIKeyUEILAFBYDVKYJG-UHFFFAOYSA-N
XLogP4.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide (CID 45274598) is 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide is CC1=C(c2cnc(NC(=O)c3c(F)cc(F)cc3F)cn2)CN(c2ncccc2F)CC1.
What is the InChIKey of 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
The InChIKey is UEILAFBYDVKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-12-4-6-31(21-15(24)3-2-5-27-21)11-14(12)18-9-29-19(10-28-18)30-22(32)20-16(25)7-13(23)8-17(20)26/h2-3,5,7-10H,4,6,11H2,1H3,(H,29,30,32).
What are the key properties of 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide?
2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide has a molecular weight of 443.40 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 45274598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).