2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide

C30H35ClF2N8O4 — CID 158525434

IUPAC2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide
SMILESCNC(=O)CCN(C)c1cncc(Oc2ccc(F)cc2)n1.CNCCC(=O)NC.Fc1ccc(Oc2cncc(Cl)n2)cc1
InChIInChI=1S/C15H17FN4O2.C10H6ClFN2O.C5H12N2O/c1-17-14(21)7-8-20(2)13-9-18-10-15(19-13)22-12-5-3-11(16)4-6-12;11-9-5-13-6-10(14-9)15-8-3-1-7(12)2-4-8;1-6-4-3-5(8)7-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21);1-6H;6H,3-4H2,1-2H3,(H,7,8)
InChIKeyHMSPKQMGPKHGNT-UHFFFAOYSA-N
MW645.11 g/mol
LogP4.38
Rot. Bonds11

About 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide

2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide (PubChem CID 158525434) has the molecular formula C30H35ClF2N8O4 and a molecular weight of 645.11 g/mol. Its IUPAC name is 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound Name2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide
PubChem CID158525434
Molecular FormulaC30H35ClF2N8O4
Molecular Weight645.11 g/mol
Exact Mass644.24
IUPAC Name2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide
SMILESCNC(=O)CCN(C)c1cncc(Oc2ccc(F)cc2)n1.CNCCC(=O)NC.Fc1ccc(Oc2cncc(Cl)n2)cc1
InChIInChI=1S/C15H17FN4O2.C10H6ClFN2O.C5H12N2O/c1-17-14(21)7-8-20(2)13-9-18-10-15(19-13)22-12-5-3-11(16)4-6-12;11-9-5-13-6-10(14-9)15-8-3-1-7(12)2-4-8;1-6-4-3-5(8)7-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21);1-6H;6H,3-4H2,1-2H3,(H,7,8)
InChIKeyHMSPKQMGPKHGNT-UHFFFAOYSA-N
XLogP4.38
TPSA143.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.11
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide?
The IUPAC name of 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide (CID 158525434) is 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide.
What is the SMILES notation for 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide?
The canonical SMILES for 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide is CNC(=O)CCN(C)c1cncc(Oc2ccc(F)cc2)n1.CNCCC(=O)NC.Fc1ccc(Oc2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide?
The InChIKey is HMSPKQMGPKHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2.C10H6ClFN2O.C5H12N2O/c1-17-14(21)7-8-20(2)13-9-18-10-15(19-13)22-12-5-3-11(16)4-6-12;11-9-5-13-6-10(14-9)15-8-3-1-7(12)2-4-8;1-6-4-3-5(8)7-2/h3-6,9-10H,7-8H2,1-2H3,(H,17,21);1-6H;6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide?
2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide has a molecular weight of 645.11 g/mol, XLogP of 4.38, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-fluorophenoxy)pyrazine;3-[[6-(4-fluorophenoxy)pyrazin-2-yl]-methylamino]-N-methylpropanamide;N-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 158525434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).