3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide

C20H17F2N5O2 — CID 170248716

IUPAC3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide
SMILESCc1ccnc(NC(=O)c2nccnc2N2CC(Oc3cc(F)cc(F)c3)C2)c1
InChIInChI=1S/C20H17F2N5O2/c1-12-2-3-23-17(6-12)26-20(28)18-19(25-5-4-24-18)27-10-16(11-27)29-15-8-13(21)7-14(22)9-15/h2-9,16H,10-11H2,1H3,(H,23,26,28)
InChIKeyNZSGMPHLLDWGKZ-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.98
Rot. Bonds5

About 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide

3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 170248716) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID170248716
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide
SMILESCc1ccnc(NC(=O)c2nccnc2N2CC(Oc3cc(F)cc(F)c3)C2)c1
InChIInChI=1S/C20H17F2N5O2/c1-12-2-3-23-17(6-12)26-20(28)18-19(25-5-4-24-18)27-10-16(11-27)29-15-8-13(21)7-14(22)9-15/h2-9,16H,10-11H2,1H3,(H,23,26,28)
InChIKeyNZSGMPHLLDWGKZ-UHFFFAOYSA-N
XLogP2.98
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(3-chloro-4,5-difluorophenoxy)azetidin-1-yl]-N-(6-methylpyrimidin-4-yl)pyrazine-2-carboxamide
CID 166023616
3-[3-[3-(difluoromethyl)-5-fluorophenoxy]azetidin-1-yl]-N-pyridazin-4-ylpyrazine-2-carboxamide
CID 166023637
3-[3-(3,4,5-trifluorophenoxy)azetidin-1-yl]pyrazine-2-carboxylic acid
CID 166023658
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
4-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-N-(1-methylimidazol-4-yl)pyridazine-3-carboxamide
CID 177028327
4-[(4-fluorophenoxy)methyl]-5-methyl-N-(4-methyl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 19445250
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
2-amino-4-fluoro-N-(4-methyl-2-pyridinyl)benzamide
CID 113228212
5,7-difluoro-N-(4-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39850308
5-methyl-N-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254425
3-(4-fluorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 47351806
4-chloro-1,5-dimethyl-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 39853788

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide (CID 170248716) is 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide is Cc1ccnc(NC(=O)c2nccnc2N2CC(Oc3cc(F)cc(F)c3)C2)c1.
What is the InChIKey of 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is NZSGMPHLLDWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-12-2-3-23-17(6-12)26-20(28)18-19(25-5-4-24-18)27-10-16(11-27)29-15-8-13(21)7-14(22)9-15/h2-9,16H,10-11H2,1H3,(H,23,26,28).
What are the key properties of 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide?
3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-difluorophenoxy)azetidin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 170248716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).