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

C22H17F4N5O — CID 45274498

IUPACN-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C22H17F4N5O/c1-12-5-6-31(21-17(26)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-15(24)3-2-4-16(20)25/h2-4,7-10H,5-6,11H2,1H3,(H,28,30,32)
InChIKeyKPUYBQJIBKVHII-UHFFFAOYSA-N
MW443.40 g/mol
LogP4.36
Rot. Bonds4

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

N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide (PubChem CID 45274498) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
PubChem CID45274498
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC NameN-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
SMILESCC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1
InChIInChI=1S/C22H17F4N5O/c1-12-5-6-31(21-17(26)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-15(24)3-2-4-16(20)25/h2-4,7-10H,5-6,11H2,1H3,(H,28,30,32)
InChIKeyKPUYBQJIBKVHII-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 N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide (CID 45274498) is N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide is CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1.
What is the InChIKey of N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
The InChIKey is KPUYBQJIBKVHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-12-5-6-31(21-17(26)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-15(24)3-2-4-16(20)25/h2-4,7-10H,5-6,11H2,1H3,(H,28,30,32).
What are the key properties of N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide?
N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide 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 N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 45274498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).