N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide

C17H19F2N3O3 — CID 55611968

IUPACN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCCOc1cc(CN(C)C(=O)c2cnc(C)cn2)ccc1OC(F)F
InChIInChI=1S/C17H19F2N3O3/c1-4-24-15-7-12(5-6-14(15)25-17(18)19)10-22(3)16(23)13-9-20-11(2)8-21-13/h5-9,17H,4,10H2,1-3H3
InChIKeySWCMDPXILXXMFU-UHFFFAOYSA-N
MW351.35 g/mol
LogP3.06
Rot. Bonds7

About N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide

N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide (PubChem CID 55611968) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide
PubChem CID55611968
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC NameN-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide
SMILESCCOc1cc(CN(C)C(=O)c2cnc(C)cn2)ccc1OC(F)F
InChIInChI=1S/C17H19F2N3O3/c1-4-24-15-7-12(5-6-14(15)25-17(18)19)10-22(3)16(23)13-9-20-11(2)8-21-13/h5-9,17H,4,10H2,1-3H3
InChIKeySWCMDPXILXXMFU-UHFFFAOYSA-N
XLogP3.06
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide (CID 55611968) is N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide is CCOc1cc(CN(C)C(=O)c2cnc(C)cn2)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
The InChIKey is SWCMDPXILXXMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-4-24-15-7-12(5-6-14(15)25-17(18)19)10-22(3)16(23)13-9-20-11(2)8-21-13/h5-9,17H,4,10H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide?
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 55611968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).